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Chemical ID: 4123736
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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Experimental Annotations
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Descriptor Annotations
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