4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide

C20H20ClN5O — CID 127038601

IUPAC4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN5O/c21-16-5-3-4-15(12-16)14-7-10-26(11-8-14)20(27)23-19-13-18(24-25-19)17-6-1-2-9-22-17/h1-6,9,12-14H,7-8,10-11H2,(H2,23,24,25,27)
InChIKeyMLBKONHTGUTMKP-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.54
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide

4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 127038601) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
PubChem CID127038601
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN5O/c21-16-5-3-4-15(12-16)14-7-10-26(11-8-14)20(27)23-19-13-18(24-25-19)17-6-1-2-9-22-17/h1-6,9,12-14H,7-8,10-11H2,(H2,23,24,25,27)
InChIKeyMLBKONHTGUTMKP-UHFFFAOYSA-N
XLogP4.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide (CID 127038601) is 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide is O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is MLBKONHTGUTMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-16-5-3-4-15(12-16)14-7-10-26(11-8-14)20(27)23-19-13-18(24-25-19)17-6-1-2-9-22-17/h1-6,9,12-14H,7-8,10-11H2,(H2,23,24,25,27).
What are the key properties of 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127038601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).