1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one

C16H20N2OS — CID 105104774

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H20N2OS/c19-16(10-13-7-9-20-12-13)11-14-6-8-18(17-14)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2
InChIKeySHZXFCNNVHZOHW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.80
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one

1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one (PubChem CID 105104774) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
PubChem CID105104774
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H20N2OS/c19-16(10-13-7-9-20-12-13)11-14-6-8-18(17-14)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2
InChIKeySHZXFCNNVHZOHW-UHFFFAOYSA-N
XLogP3.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.80
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-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
CID 64783174
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
1-(1-cyclopentylpyrazol-3-yl)-3-(thian-4-yl)propan-2-one
CID 105107351
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
[1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105311732
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(1-cyclohexylpyrazol-3-yl)-4-(cyclopropylamino)butan-2-one
CID 116559419
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105157011
[1-(1-cyclopentylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105314456
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one (CID 105104774) is 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is SHZXFCNNVHZOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-16(10-13-7-9-20-12-13)11-14-6-8-18(17-14)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one?
1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 288.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 105104774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).