1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one

C12H18N2OS — CID 64784318

IUPAC1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
SMILESCSCC(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H18N2OS/c1-16-9-12(15)8-10-6-7-14(13-10)11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3
InChIKeyYTFOQDUHRQZGSZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.47
Rot. Bonds5

About 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one

1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one (PubChem CID 64784318) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
PubChem CID64784318
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
SMILESCSCC(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H18N2OS/c1-16-9-12(15)8-10-6-7-14(13-10)11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3
InChIKeyYTFOQDUHRQZGSZ-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclopentylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
CID 79952722
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
2-(1-cyclopentylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114977358
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
CID 64783724

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one (CID 64784318) is 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one is CSCC(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one?
The InChIKey is YTFOQDUHRQZGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-16-9-12(15)8-10-6-7-14(13-10)11-4-2-3-5-11/h6-7,11H,2-5,8-9H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one has a molecular weight of 238.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one is sourced from PubChem (CID 64784318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).