1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one

C15H24N2O2 — CID 115779759

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one
SMILESCCn1nc(C)cc1CC(=O)CCC1CCCCO1
InChIInChI=1S/C15H24N2O2/c1-3-17-13(10-12(2)16-17)11-14(18)7-8-15-6-4-5-9-19-15/h10,15H,3-9,11H2,1-2H3
InChIKeyUGVASTSETIAOAA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.67
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one

1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one (PubChem CID 115779759) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one
PubChem CID115779759
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one
SMILESCCn1nc(C)cc1CC(=O)CCC1CCCCO1
InChIInChI=1S/C15H24N2O2/c1-3-17-13(10-12(2)16-17)11-14(18)7-8-15-6-4-5-9-19-15/h10,15H,3-9,11H2,1-2H3
InChIKeyUGVASTSETIAOAA-UHFFFAOYSA-N
XLogP2.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-one
CID 114966118
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 80601563
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105002584
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(oxan-2-yl)butan-2-one
CID 115799746
1-(1-ethylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965412
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(4-methylphenyl)butan-2-one
CID 105111942
1-(4-ethylphenyl)-4-(oxolan-2-yl)butan-2-one
CID 114963451
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
1-(6-methyl-3-pyridinyl)-3-(oxan-2-yl)propan-1-one
CID 114971598
1-(4-bromophenyl)-4-(oxan-2-yl)butan-2-one
CID 63952355

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one (CID 115779759) is 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one is CCn1nc(C)cc1CC(=O)CCC1CCCCO1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one?
The InChIKey is UGVASTSETIAOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17-13(10-12(2)16-17)11-14(18)7-8-15-6-4-5-9-19-15/h10,15H,3-9,11H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one?
1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one has a molecular weight of 264.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-4-(oxan-2-yl)butan-2-one is sourced from PubChem (CID 115779759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).