1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol

C17H23N3O3S2 — CID 42350649

IUPAC1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cn(C2CCCC2)nc1-c1cccs1)N1CCC(O)CC1
InChIInChI=1S/C17H23N3O3S2/c21-14-7-9-19(10-8-14)25(22,23)16-12-20(13-4-1-2-5-13)18-17(16)15-6-3-11-24-15/h3,6,11-14,21H,1-2,4-5,7-10H2
InChIKeyGIKOQTJPONSXJX-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.87
Rot. Bonds4

About 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol

1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol (PubChem CID 42350649) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
PubChem CID42350649
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cn(C2CCCC2)nc1-c1cccs1)N1CCC(O)CC1
InChIInChI=1S/C17H23N3O3S2/c21-14-7-9-19(10-8-14)25(22,23)16-12-20(13-4-1-2-5-13)18-17(16)15-6-3-11-24-15/h3,6,11-14,21H,1-2,4-5,7-10H2
InChIKeyGIKOQTJPONSXJX-UHFFFAOYSA-N
XLogP2.87
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-N,N-bis(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350593
1-cyclopentyl-N-(2-methylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350772
1-cyclopentyl-N-(3,3-diphenylpropyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350976
4-methyl-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidine
CID 42351856
N-(3-chloro-4-fluorophenyl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351101
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351188
N-(1,3-benzothiazol-2-yl)-1-cyclopentyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285372
1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 42285563
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 42347063
1-cyclopentyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285373
1-[2-chloro-5-(5-thiophen-2-yl-1H-imidazol-2-yl)phenyl]sulfonylpiperidin-4-ol
CID 122594560

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol (CID 42350649) is 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol is O=S(=O)(c1cn(C2CCCC2)nc1-c1cccs1)N1CCC(O)CC1.
What is the InChIKey of 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol?
The InChIKey is GIKOQTJPONSXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c21-14-7-9-19(10-8-14)25(22,23)16-12-20(13-4-1-2-5-13)18-17(16)15-6-3-11-24-15/h3,6,11-14,21H,1-2,4-5,7-10H2.
What are the key properties of 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol?
1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol has a molecular weight of 381.52 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-3-thiophen-2-ylpyrazol-4-yl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 42350649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).