2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide

C16H20N4O3S — CID 16738564

IUPAC2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n(C)n1
InChIInChI=1S/C16H20N4O3S/c1-12-11-15(19(2)18-12)16(21)17-13-5-7-14(8-6-13)24(22,23)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyWASZSKPQJUFOCY-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.77
Rot. Bonds4

About 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide

2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide (PubChem CID 16738564) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
PubChem CID16738564
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n(C)n1
InChIInChI=1S/C16H20N4O3S/c1-12-11-15(19(2)18-12)16(21)17-13-5-7-14(8-6-13)24(22,23)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21)
InChIKeyWASZSKPQJUFOCY-UHFFFAOYSA-N
XLogP1.77
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide (CID 16738564) is 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
The InChIKey is WASZSKPQJUFOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-12-11-15(19(2)18-12)16(21)17-13-5-7-14(8-6-13)24(22,23)20-9-3-4-10-20/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,21).
What are the key properties of 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 16738564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).