1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide

C17H22N4O3S — CID 17434709

IUPAC1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H22N4O3S/c1-12-16(13(2)20(3)19-12)17(22)18-14-7-6-8-15(11-14)25(23,24)21-9-4-5-10-21/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,22)
InChIKeyATQXNQSBZOMPTQ-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.07
Rot. Bonds4

About 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 17434709) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID17434709
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H22N4O3S/c1-12-16(13(2)20(3)19-12)17(22)18-14-7-6-8-15(11-14)25(23,24)21-9-4-5-10-21/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,22)
InChIKeyATQXNQSBZOMPTQ-UHFFFAOYSA-N
XLogP2.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879336
3,5-dimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 7760096
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33038542
1,3,6-trimethyl-N-(3-piperidin-1-ylsulfonylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16620957
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25469310
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179197
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 24673153

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide (CID 17434709) is 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is ATQXNQSBZOMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12-16(13(2)20(3)19-12)17(22)18-14-7-6-8-15(11-14)25(23,24)21-9-4-5-10-21/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,22).
What are the key properties of 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 17434709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).