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Chemical ID: 7967719
Chemical ID:
7967719
Name [?]:
5-(2-furyl)-2-phenyl-pyrazol-3-amine
SMILES [?]:
c1ccc(cc1)n2c(cc(n2)c3ccco3)N
InChi [?]:
InChI=1/C13H11N3O/c14-13-9-11(12-7-4-8-17-12)15-16(13)10-5-2-1-3-6-10/h1-9H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,9,4,10,12,8,17,11,7,16/E:(2,3)(5,6)/rA:17nCCCCCCNCCCNCCCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;d12;s13;d14;s12s15;s8;/rC:-.0167,1.3787,.0096;1.1696,2.0892,.0021;2.3774,1.4195,-.013;2.3996,.031,-.0206;1.2065,-.6797,-.013;.0021,-.0041,.002;3.6227,-.6512,-.0364;3.8864,-1.8357,.5826;5.1813,-2.1573,.3256;5.7277,-1.1353,-.4773;4.7869,-.2379,-.6962;7.1129,-1.0825,-.9904;7.6414,-.0945,-1.7601;8.9812,-.4508,-2.0147;9.2016,-1.6261,-1.3944;8.0723,-2.0021,-.7716;2.9905,-2.5821,1.3425;
Chemical Details
Atom Count
Formula: | C10H18N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82329 |
Area: | 405.253 |
Solvation: | -2.30804 |
Coulombic: | -30.2769 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 225.246 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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