1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one

C16H24N2OS — CID 105107351

IUPAC1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
SMILESO=C(Cc1ccn(C2CCCC2)n1)CC1CCSCC1
InChIInChI=1S/C16H24N2OS/c19-16(11-13-6-9-20-10-7-13)12-14-5-8-18(17-14)15-3-1-2-4-15/h5,8,13,15H,1-4,6-7,9-12H2
InChIKeyZXNDZBSLMLBUOY-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.64
Rot. Bonds5

About 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one

1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one (PubChem CID 105107351) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
PubChem CID105107351
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
SMILESO=C(Cc1ccn(C2CCCC2)n1)CC1CCSCC1
InChIInChI=1S/C16H24N2OS/c19-16(11-13-6-9-20-10-7-13)12-14-5-8-18(17-14)15-3-1-2-4-15/h5,8,13,15H,1-4,6-7,9-12H2
InChIKeyZXNDZBSLMLBUOY-UHFFFAOYSA-N
XLogP3.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.64
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)-3-(oxolan-2-yl)propan-2-one
CID 64783724
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
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)-4-(dimethylamino)butan-2-one
CID 113291145
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
CID 105104774
1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
CID 105102348
1-(tert-butylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116589010
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one (CID 105107351) is 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one is O=C(Cc1ccn(C2CCCC2)n1)CC1CCSCC1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one?
The InChIKey is ZXNDZBSLMLBUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16(11-13-6-9-20-10-7-13)12-14-5-8-18(17-14)15-3-1-2-4-15/h5,8,13,15H,1-4,6-7,9-12H2.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one?
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one has a molecular weight of 292.45 g/mol, XLogP of 3.64, 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-(thian-4-yl)propan-2-one is sourced from PubChem (CID 105107351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).