1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide

C17H21ClN4O — CID 119532202

IUPAC1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CCNC1
InChIInChI=1S/C17H21ClN4O/c1-2-8-21(16-6-7-19-11-16)17(23)13-10-20-22(12-13)15-5-3-4-14(18)9-15/h3-5,9-10,12,16,19H,2,6-8,11H2,1H3
InChIKeyUUMDKCMCMLMWJZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.74
Rot. Bonds5

About 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide (PubChem CID 119532202) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
PubChem CID119532202
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESCCCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CCNC1
InChIInChI=1S/C17H21ClN4O/c1-2-8-21(16-6-7-19-11-16)17(23)13-10-20-22(12-13)15-5-3-4-14(18)9-15/h3-5,9-10,12,16,19H,2,6-8,11H2,1H3
InChIKeyUUMDKCMCMLMWJZ-UHFFFAOYSA-N
XLogP2.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
CID 119825391
1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119826298
2-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]-cyclopropylamino]acetic acid
CID 119195523
1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119531389
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811
2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide
CID 168858472
3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530213
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119825937
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide (CID 119532202) is 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide is CCCN(C(=O)c1cnn(-c2cccc(Cl)c2)c1)C1CCNC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The InChIKey is UUMDKCMCMLMWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-2-8-21(16-6-7-19-11-16)17(23)13-10-20-22(12-13)15-5-3-4-14(18)9-15/h3-5,9-10,12,16,19H,2,6-8,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119532202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).