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

C20H19ClN4O3 — CID 121318024

IUPACN-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)C1
InChIInChI=1S/C20H19ClN4O3/c21-14-5-7-15(8-6-14)22-19(26)13-3-1-9-25(12-13)20(27)17-11-16(23-24-17)18-4-2-10-28-18/h2,4-8,10-11,13H,1,3,9,12H2,(H,22,26)(H,23,24)
InChIKeyWKPMPMGHAUJXHC-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.81
Rot. Bonds4

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

N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide (PubChem CID 121318024) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide
PubChem CID121318024
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)C1
InChIInChI=1S/C20H19ClN4O3/c21-14-5-7-15(8-6-14)22-19(26)13-3-1-9-25(12-13)20(27)17-11-16(23-24-17)18-4-2-10-28-18/h2,4-8,10-11,13H,1,3,9,12H2,(H,22,26)(H,23,24)
InChIKeyWKPMPMGHAUJXHC-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide (CID 121318024) is N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cc(-c3ccco3)[nH]n2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide?
The InChIKey is WKPMPMGHAUJXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-14-5-7-15(8-6-14)22-19(26)13-3-1-9-25(12-13)20(27)17-11-16(23-24-17)18-4-2-10-28-18/h2,4-8,10-11,13H,1,3,9,12H2,(H,22,26)(H,23,24).
What are the key properties of N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide?
N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 121318024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).