1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C15H16ClN3O2 — CID 82585852

IUPAC1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCN1CCc2c(c(C(=O)O)nn2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H16ClN3O2/c1-18-6-5-13-12(9-18)14(15(20)21)17-19(13)8-10-3-2-4-11(16)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyKRBWYLKGRADUKX-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.27
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 82585852) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID82585852
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCN1CCc2c(c(C(=O)O)nn2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C15H16ClN3O2/c1-18-6-5-13-12(9-18)14(15(20)21)17-19(13)8-10-3-2-4-11(16)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyKRBWYLKGRADUKX-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586237
ethyl 1-[(3-cyanophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585845
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
3-(1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
CID 82585997
1-benzyl-5-[(2,6-difluorophenyl)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137557
2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82297625
3-[(5-methyl-3-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)methyl]benzonitrile
CID 82585939
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
1-[(4-fluorophenyl)methyl]-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56708833
3-[[3-(4-hydroxyphenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]methyl]benzonitrile
CID 136817832
5-amino-1-[(3-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82589276
N-ethyl-1,5-bis[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137652

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 82585852) is 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CN1CCc2c(c(C(=O)O)nn2Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is KRBWYLKGRADUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-18-6-5-13-12(9-18)14(15(20)21)17-19(13)8-10-3-2-4-11(16)7-10/h2-4,7H,5-6,8-9H2,1H3,(H,20,21).
What are the key properties of 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 82585852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).