Chemical ID: 7117029

Cc1c(c(nn1c2ccccc2)c3ccccc3)C(=O)[O-]
Chemical ID:
7117029
Name [?]:
5-methyl-1,3-diphenyl-pyrazole-4-carboxylate
SMILES [?]:
Cc1c(c(nn1c2ccccc2)c3ccccc3)C(=O)[O-]
InChi [?]:
InChI=1/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)18-19(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,16,10,15,17,9,11,14,18,8,12,2,13,7,3,4,19,5,6,20,21/E:(4,5)(6,7)(8,9)(10,11)(20,21)/rA:21nCCCCNNCCCCCCCCCCCCCOO-/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:C17H13N2O2-
All Atoms:34
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-29.4649
Area:458.132
Solvation:-40.9182
Coulombic:-9.73171
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.297
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.31
LogP (Chemaxon):3.5

Name Annotations

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Descriptor Annotations

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