5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide

C15H17ClN4O — CID 119552969

IUPAC5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1-c1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C15H17ClN4O/c1-20(12-5-6-17-8-12)15(21)13-9-18-19-14(13)10-3-2-4-11(16)7-10/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,18,19)
InChIKeyVHDBIOXJERXBRJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.16
Rot. Bonds3

About 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide

5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 119552969) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
PubChem CID119552969
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1-c1cccc(Cl)c1)C1CCNC1
InChIInChI=1S/C15H17ClN4O/c1-20(12-5-6-17-8-12)15(21)13-9-18-19-14(13)10-3-2-4-11(16)7-10/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,18,19)
InChIKeyVHDBIOXJERXBRJ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119554451
5-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119536414
7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 138050895
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3R)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613687
2-(3-chlorophenyl)-N,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-carboxamide
CID 124613688
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375417
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119552362
N-methyl-5-phenyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119552361
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide (CID 119552969) is 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1-c1cccc(Cl)c1)C1CCNC1.
What is the InChIKey of 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is VHDBIOXJERXBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20(12-5-6-17-8-12)15(21)13-9-18-19-14(13)10-3-2-4-11(16)7-10/h2-4,7,9,12,17H,5-6,8H2,1H3,(H,18,19).
What are the key properties of 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide?
5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119552969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).