N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide

C15H25N3OS — CID 56552898

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C15H25N3OS/c1-2-8-20-11-15(19)16-14-10-13(17-18-14)9-12-6-4-3-5-7-12/h10,12H,2-9,11H2,1H3,(H2,16,17,18,19)
InChIKeyXSWVBRTVRHMXBT-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.61
Rot. Bonds7

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide (PubChem CID 56552898) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide
PubChem CID56552898
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C15H25N3OS/c1-2-8-20-11-15(19)16-14-10-13(17-18-14)9-12-6-4-3-5-7-12/h10,12H,2-9,11H2,1H3,(H2,16,17,18,19)
InChIKeyXSWVBRTVRHMXBT-UHFFFAOYSA-N
XLogP3.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-(5-ethyl-1H-pyrazol-3-yl)acetamide
CID 115593738
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 126779463
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 55861896
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 56552927
2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621083
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide
CID 122147713
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
CID 56552988
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55863677
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(methylsulfamoyl)phenyl]urea
CID 126767720
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 52690357

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide (CID 56552898) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide is CCCSCC(=O)Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide?
The InChIKey is XSWVBRTVRHMXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-8-20-11-15(19)16-14-10-13(17-18-14)9-12-6-4-3-5-7-12/h10,12H,2-9,11H2,1H3,(H2,16,17,18,19).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide has a molecular weight of 295.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-propylsulfanylacetamide is sourced from PubChem (CID 56552898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).