Chemical ID: 4123736

CC(C)c1cc([nH]n1)C(=O)O
Chemical ID:
4123736
Name [?]:
5-isopropyl-2H-pyrazole-3-carboxylic acid
SMILES [?]:
CC(C)c1cc([nH]n1)C(=O)O
InChi [?]:
InChI=1/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,5,2,4,6,9,8,7,10,11/E:(1,2)(10,11)/rA:11nCCCCCCNNCOO/rB:s1;s2;s2;s4;d5;s6;d4s7;s6;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.02912
Area:319.995
Solvation:-1.97076
Coulombic:-37.2244
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:154.167
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.11
LogP (Chemaxon):0.87

Name Annotations

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Descriptor Annotations

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