N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H21N5O — CID 120921641

IUPACN-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1cc2cc(NC(=O)C3(n4cccn4)CCNCC3)ccc2[nH]1
InChIInChI=1S/C18H21N5O/c1-13-11-14-12-15(3-4-16(14)21-13)22-17(24)18(5-8-19-9-6-18)23-10-2-7-20-23/h2-4,7,10-12,19,21H,5-6,8-9H2,1H3,(H,22,24)
InChIKeyDVFJHUINQISXOZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.39
Rot. Bonds3

About N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120921641) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120921641
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1cc2cc(NC(=O)C3(n4cccn4)CCNCC3)ccc2[nH]1
InChIInChI=1S/C18H21N5O/c1-13-11-14-12-15(3-4-16(14)21-13)22-17(24)18(5-8-19-9-6-18)23-10-2-7-20-23/h2-4,7,10-12,19,21H,5-6,8-9H2,1H3,(H,22,24)
InChIKeyDVFJHUINQISXOZ-UHFFFAOYSA-N
XLogP2.39
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921174
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938699
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3-acetamido-4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921193
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922191
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120921641) is N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is Cc1cc2cc(NC(=O)C3(n4cccn4)CCNCC3)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is DVFJHUINQISXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-11-14-12-15(3-4-16(14)21-13)22-17(24)18(5-8-19-9-6-18)23-10-2-7-20-23/h2-4,7,10-12,19,21H,5-6,8-9H2,1H3,(H,22,24).
What are the key properties of N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120921641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).