5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C17H21ClN4O — CID 110259464

IUPAC5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C17H21ClN4O/c1-21(2)17(23)14-9-19-20-16(14)13-7-8-22(11-13)10-12-5-3-4-6-15(12)18/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyQAKMIBKMCOXKBF-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.75
Rot. Bonds4

About 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 110259464) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID110259464
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C17H21ClN4O/c1-21(2)17(23)14-9-19-20-16(14)13-7-8-22(11-13)10-12-5-3-4-6-15(12)18/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20)
InChIKeyQAKMIBKMCOXKBF-UHFFFAOYSA-N
XLogP2.75
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110083044
5-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 128968595
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605973
N-benzyl-5-[(3S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805312
5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110082956
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
4-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725305
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(3S)-1-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 129457690
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
3-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 128998937

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 110259464) is 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is QAKMIBKMCOXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-21(2)17(23)14-9-19-20-16(14)13-7-8-22(11-13)10-12-5-3-4-6-15(12)18/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110259464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).