N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide

C14H17N3O3S2 — CID 84592717

IUPACN-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)C2CCCC2)c(-c2cccs2)n1
InChIInChI=1S/C14H17N3O3S2/c1-17-9-11(13(15-17)12-7-4-8-21-12)14(18)16-22(19,20)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyIZQUYROYCUZIGY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.15
Rot. Bonds4

About N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 84592717) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID84592717
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NS(=O)(=O)C2CCCC2)c(-c2cccs2)n1
InChIInChI=1S/C14H17N3O3S2/c1-17-9-11(13(15-17)12-7-4-8-21-12)14(18)16-22(19,20)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyIZQUYROYCUZIGY-UHFFFAOYSA-N
XLogP2.15
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120534870
1-[[(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544333
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
N-cyclobutylsulfonyl-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
CID 136538400
1-benzyl-N-[2-(cyclohexanecarbonylamino)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55805749
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55509705
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
N,1-dimethyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349631
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclohexanesulfonamide
CID 121166361
1-(1-methyl-3-thiophen-2-ylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512861

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 84592717) is N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide is Cn1cc(C(=O)NS(=O)(=O)C2CCCC2)c(-c2cccs2)n1.
What is the InChIKey of N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is IZQUYROYCUZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-17-9-11(13(15-17)12-7-4-8-21-12)14(18)16-22(19,20)10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,16,18).
What are the key properties of N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylsulfonyl-1-methyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 84592717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).