4-(1-cyclohexylpyrazol-3-yl)butan-2-one

C13H20N2O — CID 64783426

IUPAC4-(1-cyclohexylpyrazol-3-yl)butan-2-one
SMILESCC(=O)CCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H20N2O/c1-11(16)7-8-12-9-10-15(14-12)13-5-3-2-4-6-13/h9-10,13H,2-8H2,1H3
InChIKeyXDRYYHAHLMKORT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.91
Rot. Bonds4

About 4-(1-cyclohexylpyrazol-3-yl)butan-2-one

4-(1-cyclohexylpyrazol-3-yl)butan-2-one (PubChem CID 64783426) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-(1-cyclohexylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(1-cyclohexylpyrazol-3-yl)butan-2-one
PubChem CID64783426
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-(1-cyclohexylpyrazol-3-yl)butan-2-one
SMILESCC(=O)CCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H20N2O/c1-11(16)7-8-12-9-10-15(14-12)13-5-3-2-4-6-13/h9-10,13H,2-8H2,1H3
InChIKeyXDRYYHAHLMKORT-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
2-[(1-cyclohexylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801326
4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one
CID 64777764
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
3-[(1-cyclopentylpyrazol-3-yl)methyl]pentan-2-one
CID 64784585

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)butan-2-one?
The IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)butan-2-one (CID 64783426) is 4-(1-cyclohexylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 4-(1-cyclohexylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 4-(1-cyclohexylpyrazol-3-yl)butan-2-one is CC(=O)CCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-(1-cyclohexylpyrazol-3-yl)butan-2-one?
The InChIKey is XDRYYHAHLMKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(16)7-8-12-9-10-15(14-12)13-5-3-2-4-6-13/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-(1-cyclohexylpyrazol-3-yl)butan-2-one?
4-(1-cyclohexylpyrazol-3-yl)butan-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 64783426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).