3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one

C16H22N2O — CID 65171984

IUPAC3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one
SMILESO=C1C=C(Cc2ccn(C3CCCCC3)n2)CCC1
InChIInChI=1S/C16H22N2O/c19-16-8-4-5-13(12-16)11-14-9-10-18(17-14)15-6-2-1-3-7-15/h9-10,12,15H,1-8,11H2
InChIKeyCBYJBGHVAAQVPI-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.61
Rot. Bonds3

About 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one

3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one (PubChem CID 65171984) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one
PubChem CID65171984
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one
SMILESO=C1C=C(Cc2ccn(C3CCCCC3)n2)CCC1
InChIInChI=1S/C16H22N2O/c19-16-8-4-5-13(12-16)11-14-9-10-18(17-14)15-6-2-1-3-7-15/h9-10,12,15H,1-8,11H2
InChIKeyCBYJBGHVAAQVPI-UHFFFAOYSA-N
XLogP3.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorocyclopenten-1-yl)methyl]-1-cyclohexylpyrazole
CID 65174892
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
CID 64785748
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one (CID 65171984) is 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one is O=C1C=C(Cc2ccn(C3CCCCC3)n2)CCC1.
What is the InChIKey of 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one?
The InChIKey is CBYJBGHVAAQVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16-8-4-5-13(12-16)11-14-9-10-18(17-14)15-6-2-1-3-7-15/h9-10,12,15H,1-8,11H2.
What are the key properties of 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one?
3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one has a molecular weight of 258.37 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 65171984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).