N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H19N5O — CID 120921174

IUPACN-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19N5O/c23-16(21-14-2-3-15-13(12-14)4-8-19-15)17(5-9-18-10-6-17)22-11-1-7-20-22/h1-4,7-8,11-12,18-19H,5-6,9-10H2,(H,21,23)
InChIKeyFRWGTTZFWWJYKI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.08
Rot. Bonds3

About N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120921174) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120921174
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19N5O/c23-16(21-14-2-3-15-13(12-14)4-8-19-15)17(5-9-18-10-6-17)22-11-1-7-20-22/h1-4,7-8,11-12,18-19H,5-6,9-10H2,(H,21,23)
InChIKeyFRWGTTZFWWJYKI-UHFFFAOYSA-N
XLogP2.08
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938699
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811
N-(3-acetamido-4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921193
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922191
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120921174) is N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is FRWGTTZFWWJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-16(21-14-2-3-15-13(12-14)4-8-19-15)17(5-9-18-10-6-17)22-11-1-7-20-22/h1-4,7-8,11-12,18-19H,5-6,9-10H2,(H,21,23).
What are the key properties of N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120921174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).