1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide

C18H20N4O2S2 — CID 42285010

IUPAC1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)n1
InChIInChI=1S/C18H20N4O2S2/c1-13-12-25-18(19-13)21-26(23,24)16-11-22(15-9-5-6-10-15)20-17(16)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,19,21)
InChIKeyNZOSIYQXTIKMGK-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.23
Rot. Bonds5

About 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide

1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide (PubChem CID 42285010) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
PubChem CID42285010
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)n1
InChIInChI=1S/C18H20N4O2S2/c1-13-12-25-18(19-13)21-26(23,24)16-11-22(15-9-5-6-10-15)20-17(16)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,19,21)
InChIKeyNZOSIYQXTIKMGK-UHFFFAOYSA-N
XLogP4.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284861
1-cyclopentyl-N-methyl-3-phenylpyrazole-4-sulfonamide
CID 42347151
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42285003
N-benzyl-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42347371
methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 42284988
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
1-cyclopentyl-3-phenyl-N,N-dipropylpyrazole-4-sulfonamide
CID 42346854
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
N-cyclohexyl-1-cyclopentyl-3-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42346917
4-cyclohexyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 35539083
N-benzyl-1-cyclopentyl-N-ethyl-3-phenylpyrazole-4-sulfonamide
CID 42346901
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 42347063

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide (CID 42285010) is 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide is Cc1csc(NS(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)n1.
What is the InChIKey of 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The InChIKey is NZOSIYQXTIKMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-13-12-25-18(19-13)21-26(23,24)16-11-22(15-9-5-6-10-15)20-17(16)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10H2,1H3,(H,19,21).
What are the key properties of 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide has a molecular weight of 388.52 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42285010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).