N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide

C16H21N3O2S2 — CID 71797470

IUPACN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cc(-c2cccs2)n(C2CCCC2)n1)C1CC1
InChIInChI=1S/C16H21N3O2S2/c20-23(21,14-7-8-14)17-11-12-10-15(16-6-3-9-22-16)19(18-12)13-4-1-2-5-13/h3,6,9-10,13-14,17H,1-2,4-5,7-8,11H2
InChIKeyKUEHERFRFAVHKC-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.31
Rot. Bonds6

About N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide

N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide (PubChem CID 71797470) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide
PubChem CID71797470
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cc(-c2cccs2)n(C2CCCC2)n1)C1CC1
InChIInChI=1S/C16H21N3O2S2/c20-23(21,14-7-8-14)17-11-12-10-15(16-6-3-9-22-16)19(18-12)13-4-1-2-5-13/h3,6,9-10,13-14,17H,1-2,4-5,7-8,11H2
InChIKeyKUEHERFRFAVHKC-UHFFFAOYSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-thiophene-2-sulfonamide
CID 2820380
5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 2820331
1,3,5-trimethyl-N-(thien-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 3243813
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 2820354
N-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797442
N-{[1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl]methyl}-1-(4-fluorophenyl)methanesulfonamide
CID 71797472
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}methanesulfonamide
CID 71808159
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}cyclopropanesulfonamide
CID 71808160
N-{2-[3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}propane-1-sulfonamide
CID 71808161
1,3,5-trimethyl-N-(2-(3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethyl)-1H-pyrazole-4-sulfonamide
CID 71808189
N-{2-[5-cyclopropyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl]ethyl}-1-(2-fluorophenyl)methanesulfonamide
CID 72718652
N-(2-(5-cyclopropyl-3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)ethanesulfonamide
CID 86266325

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide (CID 71797470) is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide is O=S(=O)(NCc1cc(-c2cccs2)n(C2CCCC2)n1)C1CC1.
What is the InChIKey of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide?
The InChIKey is KUEHERFRFAVHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c20-23(21,14-7-8-14)17-11-12-10-15(16-6-3-9-22-16)19(18-12)13-4-1-2-5-13/h3,6,9-10,13-14,17H,1-2,4-5,7-8,11H2.
What are the key properties of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide?
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide has a molecular weight of 351.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 71797470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).