N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide

C16H19N3OS — CID 31235798

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(12-21-14-8-2-1-3-9-14)18-15-10-11-17-19(15)13-6-4-5-7-13/h1-3,8-11,13H,4-7,12H2,(H,18,20)
InChIKeyRZJSOSQVIFBPKE-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.73
Rot. Bonds5

About N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide

N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide (PubChem CID 31235798) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
PubChem CID31235798
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(12-21-14-8-2-1-3-9-14)18-15-10-11-17-19(15)13-6-4-5-7-13/h1-3,8-11,13H,4-7,12H2,(H,18,20)
InChIKeyRZJSOSQVIFBPKE-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
2-(benzhydrylamino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8596124
N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9203863
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 31274039
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771027
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
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CID 110470108

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide (CID 31235798) is N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccnn1C1CCCC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is RZJSOSQVIFBPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(12-21-14-8-2-1-3-9-14)18-15-10-11-17-19(15)13-6-4-5-7-13/h1-3,8-11,13H,4-7,12H2,(H,18,20).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 31235798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).