N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C15H17ClN4O — CID 75434550

IUPACN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2ccn[nH]2)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O/c1-20-9-7-12(18-15(21)13-6-8-17-19-13)14(20)10-2-4-11(16)5-3-10/h2-6,8,12,14H,7,9H2,1H3,(H,17,19)(H,18,21)
InChIKeyMCTPQFLEWGJXQM-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.24
Rot. Bonds3

About N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 75434550) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID75434550
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2ccn[nH]2)C1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN4O/c1-20-9-7-12(18-15(21)13-6-8-17-19-13)14(20)10-2-4-11(16)5-3-10/h2-6,8,12,14H,7,9H2,1H3,(H,17,19)(H,18,21)
InChIKeyMCTPQFLEWGJXQM-UHFFFAOYSA-N
XLogP2.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US10022354, Example 183
CID 121279732
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N-[1-amino-6-methyl-2-oxo-5-(1H-pyrazol-5-yl)-1,2-dihydro-3-pyridinyl]-4-chlorobenzenecarboxamide
CID 1475595
3-(2,4-dichlorophenyl)-N-isopropyl-1H-pyrazole-5-carboxamide
CID 19510029
(S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide
CID 70655902
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 122703588
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 3221280
3-(2,4-dichlorophenyl)-N-isobutyl-1H-pyrazole-5-carboxamide
CID 19509990
3-(2,4-dichlorophenyl)-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 24178126
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-methylpiperazin-1-yl)methanone
CID 24178134
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-ethylpiperazin-1-yl)methanone
CID 24178135

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 75434550) is N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is CN1CCC(NC(=O)c2ccn[nH]2)C1c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is MCTPQFLEWGJXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20-9-7-12(18-15(21)13-6-8-17-19-13)14(20)10-2-4-11(16)5-3-10/h2-6,8,12,14H,7,9H2,1H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75434550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).