N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C19H19N3O3S2 — CID 55852070

IUPACN-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H19N3O3S2/c23-19(17-12-16(21-22-17)18-9-4-10-26-18)20-13-5-3-8-15(11-13)27(24,25)14-6-1-2-7-14/h3-5,8-12,14H,1-2,6-7H2,(H,20,23)(H,21,22)
InChIKeyMUGWBILVWMKVNH-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.11
Rot. Bonds5

About N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55852070) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55852070
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H19N3O3S2/c23-19(17-12-16(21-22-17)18-9-4-10-26-18)20-13-5-3-8-15(11-13)27(24,25)14-6-1-2-7-14/h3-5,8-12,14H,1-2,6-7H2,(H,20,23)(H,21,22)
InChIKeyMUGWBILVWMKVNH-UHFFFAOYSA-N
XLogP4.11
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentylsulfonylphenyl)thiophene-2-carboxamide
CID 39209914
N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39208017
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55932193
N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121084039
N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
CID 47026452
N-(3-cyclopentylsulfonylphenyl)-2-ethyl-1,3-oxazole-4-carboxamide
CID 86815081
N-(3-cyclopentylsulfonylphenyl)thiophene-2-sulfonamide
CID 38945179
N-(3-cyclopentylsulfonylphenyl)-2-fluoropyridine-3-carboxamide
CID 155781142
N-[4-(difluoromethylsulfanyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55746673
N-[4-(3-methoxypiperidin-1-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121141691
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119101290

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55852070) is N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MUGWBILVWMKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-19(17-12-16(21-22-17)18-9-4-10-26-18)20-13-5-3-8-15(11-13)27(24,25)14-6-1-2-7-14/h3-5,8-12,14H,1-2,6-7H2,(H,20,23)(H,21,22).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55852070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).