4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one

C11H18N2O2 — CID 103024316

IUPAC4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one
SMILESCC(C)OCC(=O)CCc1ccnn1C
InChIInChI=1S/C11H18N2O2/c1-9(2)15-8-11(14)5-4-10-6-7-12-13(10)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNCRZOKFDWKJETM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.35
Rot. Bonds6

About 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one

4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one (PubChem CID 103024316) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one
PubChem CID103024316
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one
SMILESCC(C)OCC(=O)CCc1ccnn1C
InChIInChI=1S/C11H18N2O2/c1-9(2)15-8-11(14)5-4-10-6-7-12-13(10)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNCRZOKFDWKJETM-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(2-methylpyrazol-3-yl)butanoate
CID 102523556
1-(2-Methylpyrazol-3-yl)decan-3-one
CID 103024186
1-(2-Methylpyrazol-3-yl)nonan-3-one
CID 103024194
1-(2-Methylpyrazol-3-yl)dodecan-3-one
CID 103024238
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
3-(2-Methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
CID 103024318
6-Methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024323
1-(2-Methylpyrazol-3-yl)octan-3-one
CID 103024329

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one (CID 103024316) is 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one is CC(C)OCC(=O)CCc1ccnn1C.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one?
The InChIKey is NCRZOKFDWKJETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)15-8-11(14)5-4-10-6-7-12-13(10)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one?
4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-propan-2-yloxybutan-2-one is sourced from PubChem (CID 103024316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).