3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C20H19ClN4O3 — CID 167769135

IUPAC3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C20H19ClN4O3/c21-15-5-2-1-4-14(15)16-12-17(24-23-16)19(26)22-13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24)
InChIKeyMRLCAKQQNMCWMV-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.36
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 167769135) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID167769135
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C20H19ClN4O3/c21-15-5-2-1-4-14(15)16-12-17(24-23-16)19(26)22-13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24)
InChIKeyMRLCAKQQNMCWMV-UHFFFAOYSA-N
XLogP3.36
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide 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

2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 78836748
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 167978791
[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133468013
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
CID 119401108
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1H-indazole-3-carboxamide
CID 78868846
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
5-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 16613697
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
CID 46585539

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 167769135) is 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is MRLCAKQQNMCWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-15-5-2-1-4-14(15)16-12-17(24-23-16)19(26)22-13-7-9-25(10-8-13)20(27)18-6-3-11-28-18/h1-6,11-13H,7-10H2,(H,22,26)(H,23,24).
What are the key properties of 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167769135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).