3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid

C14H12N4O2 — CID 82588694

IUPAC3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
SMILESN#Cc1nn(-c2cccc(C(=O)O)c2)c2c1CNCC2
InChIInChI=1S/C14H12N4O2/c15-7-12-11-8-16-5-4-13(11)18(17-12)10-3-1-2-9(6-10)14(19)20/h1-3,6,16H,4-5,8H2,(H,19,20)
InChIKeyQZMKWRPWXKPHRX-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.09
Rot. Bonds2

About 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid

3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid (PubChem CID 82588694) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
PubChem CID82588694
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
SMILESN#Cc1nn(-c2cccc(C(=O)O)c2)c2c1CNCC2
InChIInChI=1S/C14H12N4O2/c15-7-12-11-8-16-5-4-13(11)18(17-12)10-3-1-2-9(6-10)14(19)20/h1-3,6,16H,4-5,8H2,(H,19,20)
InChIKeyQZMKWRPWXKPHRX-UHFFFAOYSA-N
XLogP1.09
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylsulfonylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588718
3-(3-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82587357
3-(4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82586390
3-(4-cyano-5-cyclopropyltriazol-1-yl)benzoic acid
CID 82197313
1-benzyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82588635
methyl 3-(3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 82586815
3-(4-cyano-5-cyclohexyltriazol-1-yl)benzoic acid
CID 82197319
methyl 3-(3-cyclohexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110459041
3-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzoic acid
CID 105486390
4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588594
3-(3-methyl-4-oxo-6,7-dihydro-5H-indazol-1-yl)benzoic acid
CID 82590947
3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587639

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The IUPAC name of 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid (CID 82588694) is 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid.
What is the SMILES notation for 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The canonical SMILES for 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid is N#Cc1nn(-c2cccc(C(=O)O)c2)c2c1CNCC2.
What is the InChIKey of 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
The InChIKey is QZMKWRPWXKPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-7-12-11-8-16-5-4-13(11)18(17-12)10-3-1-2-9(6-10)14(19)20/h1-3,6,16H,4-5,8H2,(H,19,20).
What are the key properties of 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid?
3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid has a molecular weight of 268.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid is sourced from PubChem (CID 82588694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).