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Chemical ID: 7967746

Chemical ID:

7967746

Name [?]:

2-(2-methoxyphenyl)-5-(4-methoxyphenyl)-pyrazol-3-amine

SMILES [?]:

COc1ccc(cc1)c2cc(n(n2)c3ccccc3OC)N

InChi [?]:

InChI=1/C17H17N3O2/c1-21-13-9-7-12(8-10-13)14-11-17(18)20(19-14)15-5-3-4-6-16(15)22-2/h3-11H,18H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,16,17,15,18,5,7,4,8,10,6,3,9,14,19,11,22,13,12,2,20/E:(7,8)(9,10)/rA:22nCOCCCCCCCCCNNCCCCCCOCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s12;s14;d15;s16;d17;d14s18;s19;s20;s11;/rC:.7337,1.4963,.3367;.8473,.0725,.38;1.3222,-.3207,-.8309;1.5968,.6264,-1.8081;2.0793,.2304,-3.0379;2.2912,-1.1221,-3.2992;2.0146,-2.0706,-2.3161;1.5372,-1.6682,-1.0864;2.8097,-1.5514,-4.6214;3.0625,-2.8784,-5.0178;3.5269,-2.8491,-6.2952;3.5656,-1.547,-6.6912;3.1075,-.7575,-5.6289;3.9858,-1.0789,-7.9444;3.5086,-1.6722,-9.1043;3.9242,-1.2092,-10.338;4.8154,-.1549,-10.4206;5.2955,.4409,-9.2695;4.879,-.0133,-8.0283;5.3503,.5717,-6.8952;6.2433,1.6087,-7.3065;3.8969,-3.9517,-7.0602;

Chemical Details

Atom Count

Formula:	C₈H₁₉NO
All Atoms:	39
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.27739
Area:	495.426
Solvation:	-5.10826
Coulombic:	-36.5066

Bond Count [?]

All:	41
Single:	33
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	295.336
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	3.53
LogP (Chemaxon):	2.74

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value