3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid

C14H11ClN4O2 — CID 134177987

IUPAC3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
SMILESNc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)O
InChIInChI=1S/C14H11ClN4O2/c15-10-4-9-3-8(1-2-12(9)17-5-10)6-19-7-11(14(20)21)13(16)18-19/h1-5,7H,6H2,(H2,16,18)(H,20,21)
InChIKeyBHCCGAFJCHWJGH-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.41
Rot. Bonds3

About 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid

3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 134177987) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID134177987
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid
SMILESNc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)O
InChIInChI=1S/C14H11ClN4O2/c15-10-4-9-3-8(1-2-12(9)17-5-10)6-19-7-11(14(20)21)13(16)18-19/h1-5,7H,6H2,(H2,16,18)(H,20,21)
InChIKeyBHCCGAFJCHWJGH-UHFFFAOYSA-N
XLogP2.41
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-chloroquinolin-6-yl)methyl]-3-methoxypyrazole-4-carboxylic acid
CID 134178738
3-acetyl-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid;ethane
CID 145440952
1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 135354589
sodium;1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylic acid;ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxylate;hydroxide
CID 157262145
ethyl 1-[(3-chloroquinolin-6-yl)methyl]-3-(hydroxymethyl)pyrazole-4-carboxylate
CID 134178614
1-[(3-chloroquinolin-6-yl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid;ethane
CID 145441016
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-3-methylpyrazole-4-carboxamide
CID 134178248
1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylic acid
CID 158099732
1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
CID 135354693
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylic acid;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate
CID 158099731
2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid (CID 134177987) is 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid is Nc1nn(Cc2ccc3ncc(Cl)cc3c2)cc1C(=O)O.
What is the InChIKey of 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is BHCCGAFJCHWJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-10-4-9-3-8(1-2-12(9)17-5-10)6-19-7-11(14(20)21)13(16)18-19/h1-5,7H,6H2,(H2,16,18)(H,20,21).
What are the key properties of 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid?
3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 302.72 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 134177987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).