1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid

C16H16ClN3O3 — CID 154743582

IUPAC1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1
InChIInChI=1S/C16H16ClN3O3/c17-12-5-3-10(4-6-12)13-8-14(19-18-13)15(21)20-7-1-2-11(9-20)16(22)23/h3-6,8,11H,1-2,7,9H2,(H,18,19)(H,22,23)
InChIKeyBCRNRGRZBZOXQE-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.67
Rot. Bonds3

About 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid

1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid (PubChem CID 154743582) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
PubChem CID154743582
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1
InChIInChI=1S/C16H16ClN3O3/c17-12-5-3-10(4-6-12)13-8-14(19-18-13)15(21)20-7-1-2-11(9-20)16(22)23/h3-6,8,11H,1-2,7,9H2,(H,18,19)(H,22,23)
InChIKeyBCRNRGRZBZOXQE-UHFFFAOYSA-N
XLogP2.67
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-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

(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119377654
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 124611221
(3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044623
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 119414620
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 86823293
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
1-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354559
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-methoxypiperidin-1-yl)methanone
CID 56810856
1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepane-6-carboxylic acid
CID 74246250
[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46446368

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid (CID 154743582) is 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is BCRNRGRZBZOXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-12-5-3-10(4-6-12)13-8-14(19-18-13)15(21)20-7-1-2-11(9-20)16(22)23/h3-6,8,11H,1-2,7,9H2,(H,18,19)(H,22,23).
What are the key properties of 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid?
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 333.78 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 154743582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).