2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide

C15H18N4O3S — CID 6467947

IUPAC2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-18-14(8-9-16-18)15(20)17-12-4-6-13(7-5-12)23(21,22)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3,(H,17,20)
InChIKeyWJNVHVZDYBSPMO-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide

2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide (PubChem CID 6467947) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
PubChem CID6467947
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N4O3S/c1-18-14(8-9-16-18)15(20)17-12-4-6-13(7-5-12)23(21,22)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3,(H,17,20)
InChIKeyWJNVHVZDYBSPMO-UHFFFAOYSA-N
XLogP1.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide (CID 6467947) is 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The InChIKey is WJNVHVZDYBSPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18-14(8-9-16-18)15(20)17-12-4-6-13(7-5-12)23(21,22)19-10-2-3-11-19/h4-9H,2-3,10-11H2,1H3,(H,17,20).
What are the key properties of 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 6467947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).