Chemical ID: 3986976

CCc1c(c(nn1c2ccc(cc2)Cl)c3ccncc3)C(=O)O
Chemical ID:
3986976
Name [?]:
1-(4-chlorophenyl)-5-ethyl-3-(4-pyridyl)pyrazole-4-carboxylic acid
SMILES [?]:
CCc1c(c(nn1c2ccc(cc2)Cl)c3ccncc3)C(=O)O
InChi [?]:
InChI=1/C17H14ClN3O2/c1-2-14-15(17(22)23)16(11-7-9-19-10-8-11)20-21(14)13-5-3-12(18)4-6-13/h3-10H,2H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,10,12,9,13,16,20,17,19,15,11,8,3,4,5,21,14,18,6,7,22,23/E:(3,4)(5,6)(7,8)(9,10)(22,23)/rA:23nCCCCCNNCCCCCCClCCCNCCCOO/rB:s1;s2;d3;s4;d5;s3s6;s7;s8;d9;s10;d11;d8s12;s11;s5;s15;d16;s17;d18;d15s19;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0311
Area:519.436
Solvation:-2.95483
Coulombic:-37.4012
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.765
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.41
LogP (Chemaxon):2.46

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Descriptor Annotations

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