1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C14H14ClN3O2 — CID 82587208

IUPAC1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1nc(C(=O)O)c2c1CCNC2
InChIInChI=1S/C14H14ClN3O2/c1-8-2-3-9(15)6-12(8)18-11-4-5-16-7-10(11)13(17-18)14(19)20/h2-3,6,16H,4-5,7H2,1H3,(H,19,20)
InChIKeyPHDUMHOGFRQYNY-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.18
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 82587208) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID82587208
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1ccc(Cl)cc1-n1nc(C(=O)O)c2c1CCNC2
InChIInChI=1S/C14H14ClN3O2/c1-8-2-3-9(15)6-12(8)18-11-4-5-16-7-10(11)13(17-18)14(19)20/h2-3,6,16H,4-5,7H2,1H3,(H,19,20)
InChIKeyPHDUMHOGFRQYNY-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587224
1-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61288079
1-(4-chloro-2-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxylic acid
CID 61287059
ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 82587186
1-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587168
3-(3-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-4-chlorobenzoic acid
CID 110458961
1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974111
1-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771372
1-(2,4-dichlorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61298268
1-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105480647
4-(3-carbamoyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)benzoic acid
CID 82588594
1-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771404

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 82587208) is 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is Cc1ccc(Cl)cc1-n1nc(C(=O)O)c2c1CCNC2.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is PHDUMHOGFRQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-2-3-9(15)6-12(8)18-11-4-5-16-7-10(11)13(17-18)14(19)20/h2-3,6,16H,4-5,7H2,1H3,(H,19,20).
What are the key properties of 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 291.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 82587208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).