N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide

C19H25N3OS — CID 35064432

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCC(C)c1ccc(SCC(=O)Nc2ccnn2C2CCCC2)cc1
InChIInChI=1S/C19H25N3OS/c1-14(2)15-7-9-17(10-8-15)24-13-19(23)21-18-11-12-20-22(18)16-5-3-4-6-16/h7-12,14,16H,3-6,13H2,1-2H3,(H,21,23)
InChIKeyYBKBBGIXAJVDDP-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.85
Rot. Bonds6

About N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide

N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide (PubChem CID 35064432) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
PubChem CID35064432
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCC(C)c1ccc(SCC(=O)Nc2ccnn2C2CCCC2)cc1
InChIInChI=1S/C19H25N3OS/c1-14(2)15-7-9-17(10-8-15)24-13-19(23)21-18-11-12-20-22(18)16-5-3-4-6-16/h7-12,14,16H,3-6,13H2,1-2H3,(H,21,23)
InChIKeyYBKBBGIXAJVDDP-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.85
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-phenylsulfanylacetamide
CID 31235798
N-(2-cyclopentylpyrazol-3-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659076
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598589
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771027
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998211
N-(2-cyclohexylpyrazol-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 134037686
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
N-(2-cyclopentylpyrazol-3-yl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111496830
2-(benzhydrylamino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8596124
N-(2-cyclopentylpyrazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9203863

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide (CID 35064432) is N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide is CC(C)c1ccc(SCC(=O)Nc2ccnn2C2CCCC2)cc1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The InChIKey is YBKBBGIXAJVDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14(2)15-7-9-17(10-8-15)24-13-19(23)21-18-11-12-20-22(18)16-5-3-4-6-16/h7-12,14,16H,3-6,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide has a molecular weight of 343.50 g/mol, XLogP of 4.85, 6 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-(4-propan-2-ylphenyl)sulfanylacetamide is sourced from PubChem (CID 35064432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).