N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C20H27N5O — CID 56796288

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C20H27N5O/c26-20(24-12-4-8-19(16-24)23-10-1-2-11-23)22-18-7-3-6-17(14-18)15-25-13-5-9-21-25/h3,5-7,9,13-14,19H,1-2,4,8,10-12,15-16H2,(H,22,26)
InChIKeyYJJNHQALEAUWHE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.02
Rot. Bonds4

About N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 56796288) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID56796288
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C20H27N5O/c26-20(24-12-4-8-19(16-24)23-10-1-2-11-23)22-18-7-3-6-17(14-18)15-25-13-5-9-21-25/h3,5-7,9,13-14,19H,1-2,4,8,10-12,15-16H2,(H,22,26)
InChIKeyYJJNHQALEAUWHE-UHFFFAOYSA-N
XLogP3.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
(1R,4S)-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 94653102
1-(1-cyclopropylpiperidin-4-yl)-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 86988645
(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 95266842
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518441
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
(9aR)-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97022143
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
2-methyl-6-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 47746600

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 56796288) is N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)N1CCCC(N2CCCC2)C1.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is YJJNHQALEAUWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-20(24-12-4-8-19(16-24)23-10-1-2-11-23)22-18-7-3-6-17(14-18)15-25-13-5-9-21-25/h3,5-7,9,13-14,19H,1-2,4,8,10-12,15-16H2,(H,22,26).
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 56796288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).