Chemical ID: 3986924

Cc1c(c(nn1c2ccccc2)c3ccncc3)C(=O)O
Chemical ID:
3986924
Name [?]:
5-methyl-1-phenyl-3-(4-pyridyl)pyrazole-4-carboxylic acid
SMILES [?]:
Cc1c(c(nn1c2ccccc2)c3ccncc3)C(=O)O
InChi [?]:
InChI=1/C16H13N3O2/c1-11-14(16(20)21)15(12-7-9-17-10-8-12)18-19(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,12,14,18,15,17,2,13,7,3,4,19,16,5,6,20,21/E:(3,4)(5,6)(7,8)(9,10)(20,21)/rA:21nCCCCNNCCCCCCCCCNCCCOO/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s4;s13;d14;s15;d16;d13s17;s3;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.71424
Area:467.92
Solvation:-2.98376
Coulombic:-36.9814
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:279.293
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.54
LogP (Chemaxon):1.48

Name Annotations

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Descriptor Annotations

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