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

C14H22N2O — CID 64784583

IUPAC4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
SMILESCC(=O)C(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H22N2O/c1-11(12(2)17)10-13-8-9-16(15-13)14-6-4-3-5-7-14/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyWXNKFPNCCSWMDP-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.16
Rot. Bonds4

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

4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one (PubChem CID 64784583) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
PubChem CID64784583
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
SMILESCC(=O)C(C)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H22N2O/c1-11(12(2)17)10-13-8-9-16(15-13)14-6-4-3-5-7-14/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyWXNKFPNCCSWMDP-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl]pentan-2-one
CID 64784585
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
CID 64785587
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one?
The IUPAC name of 4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one (CID 64784583) is 4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one.
What is the SMILES notation for 4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one?
The canonical SMILES for 4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one is CC(=O)C(C)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one?
The InChIKey is WXNKFPNCCSWMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(12(2)17)10-13-8-9-16(15-13)14-6-4-3-5-7-14/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of 4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one?
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.16, 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)-3-methylbutan-2-one is sourced from PubChem (CID 64784583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).