Chemical ID: 7205867

Cn1c(ccn1)C(=O)Nc2cccc(c2)Nc3ccccc3
Chemical ID:
7205867
Name [?]:
N-(3-anilinophenyl)-2-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1c(ccn1)C(=O)Nc2cccc(c2)Nc3ccccc3
InChi [?]:
InChI=1/C17H16N4O/c1-21-16(10-11-18-21)17(22)20-15-9-5-8-14(12-15)19-13-6-3-2-4-7-13/h2-12,19H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,12,18,22,13,11,4,5,15,17,14,10,3,7,6,16,9,2,8/E:(3,4)(6,7)/rA:22nCNCCCNCONCCCCCCNCCCCCC/rB:s1;s2;d3;s4;s2d5;s3;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4O
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.19377
Area:492.458
Solvation:-3.11767
Coulombic:-37.6873
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:292.335
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.79
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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