Chemical ID: 3990669

c1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)O
Chemical ID:
3990669
Name [?]:
1,3-diphenylpyrazole-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)c3ccccc3)C(=O)O
InChi [?]:
InChI=1/C16H12N2O2/c19-16(20)14-11-18(13-9-5-2-6-10-13)17-15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,15,2,6,14,16,3,5,13,17,9,4,12,8,7,18,11,10,19,20/E:(3,4)(5,6)(7,8)(9,10)(19,20)/rA:20nCCCCCCCCCNNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s8;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.75837
Area:450.266
Solvation:-2.49828
Coulombic:-34.4179
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.279
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):3.6

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Descriptor Annotations

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