1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one

C16H24N2O2 — CID 64783536

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
SMILESO=C(Cc1ccn(C2CCCCC2)n1)CC1CCCO1
InChIInChI=1S/C16H24N2O2/c19-15(12-16-7-4-10-20-16)11-13-8-9-18(17-13)14-5-2-1-3-6-14/h8-9,14,16H,1-7,10-12H2
InChIKeyCOOOGWWYIFIUJM-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.07
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one

1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one (PubChem CID 64783536) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
PubChem CID64783536
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
SMILESO=C(Cc1ccn(C2CCCCC2)n1)CC1CCCO1
InChIInChI=1S/C16H24N2O2/c19-15(12-16-7-4-10-20-16)11-13-8-9-18(17-13)14-5-2-1-3-6-14/h8-9,14,16H,1-7,10-12H2
InChIKeyCOOOGWWYIFIUJM-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-Dioxan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024242
1-(2-Methylpyrazol-3-yl)-5-(oxolan-2-yl)pentan-3-one
CID 103024267
1-Ethoxy-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103024277
6-Ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024279
6-Methoxy-1-(2-methylpyrazol-3-yl)heptan-3-one
CID 103024290
4-(2-Methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one
CID 103024316
3-(2-Methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
CID 103024318
1-(2-Methylpyrazol-3-yl)-5-propoxypentan-3-one
CID 103024372
1-(1-Pentan-3-ylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146867
1-(2-Methylpyrazol-3-yl)-5-(2,2,2-trifluoroethoxy)pentan-3-one
CID 103146917
1-(1-Methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146933
1-(1-Cyclopentylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146978

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one (CID 64783536) is 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one is O=C(Cc1ccn(C2CCCCC2)n1)CC1CCCO1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one?
The InChIKey is COOOGWWYIFIUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(12-16-7-4-10-20-16)11-13-8-9-18(17-13)14-5-2-1-3-6-14/h8-9,14,16H,1-7,10-12H2.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one?
1-(1-cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.07, 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-(oxolan-2-yl)propan-2-one is sourced from PubChem (CID 64783536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).