4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

C19H25N5O — CID 120939642

IUPAC4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H25N5O/c25-18(19(7-10-20-11-8-19)24-14-4-9-21-24)22-16-5-3-6-17(15-16)23-12-1-2-13-23/h3-6,9,14-15,20H,1-2,7-8,10-13H2,(H,22,25)
InChIKeyRONCFUHMKCTPIW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.20
Rot. Bonds4

About 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 120939642) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID120939642
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H25N5O/c25-18(19(7-10-20-11-8-19)24-14-4-9-21-24)22-16-5-3-6-17(15-16)23-12-1-2-13-23/h3-6,9,14-15,20H,1-2,7-8,10-13H2,(H,22,25)
InChIKeyRONCFUHMKCTPIW-UHFFFAOYSA-N
XLogP2.20
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclohexanecarbonylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936580
4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 63122188
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 120929070
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120916709

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 120939642) is 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1cccc(N2CCCC2)c1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is RONCFUHMKCTPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-18(19(7-10-20-11-8-19)24-14-4-9-21-24)22-16-5-3-6-17(15-16)23-12-1-2-13-23/h3-6,9,14-15,20H,1-2,7-8,10-13H2,(H,22,25).
What are the key properties of 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 120939642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).