1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one

C14H22N2O — CID 114979014

IUPAC1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
SMILESCc1cc(CC(=O)CC2CCCCC2)n(C)n1
InChIInChI=1S/C14H22N2O/c1-11-8-13(16(2)15-11)10-14(17)9-12-6-4-3-5-7-12/h8,12H,3-7,9-10H2,1-2H3
InChIKeyAWFRLJDPLTXZQL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.81
Rot. Bonds4

About 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one

1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one (PubChem CID 114979014) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
PubChem CID114979014
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
SMILESCc1cc(CC(=O)CC2CCCCC2)n(C)n1
InChIInChI=1S/C14H22N2O/c1-11-8-13(16(2)15-11)10-14(17)9-12-6-4-3-5-7-12/h8,12H,3-7,9-10H2,1-2H3
InChIKeyAWFRLJDPLTXZQL-UHFFFAOYSA-N
XLogP2.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)-1-hydroxypropan-2-one
CID 103457452
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
CID 116586283
1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586576
1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116592412
1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 116659644
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
5-chloro-1-(2,5-dimethylpyrazol-3-yl)pentan-2-one
CID 66044438
1-(2,5-dimethylpyrazol-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79044913
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116586028

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one (CID 114979014) is 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one is Cc1cc(CC(=O)CC2CCCCC2)n(C)n1.
What is the InChIKey of 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
The InChIKey is AWFRLJDPLTXZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-13(16(2)15-11)10-14(17)9-12-6-4-3-5-7-12/h8,12H,3-7,9-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one?
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 114979014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).