4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one

C11H18N2O2 — CID 64771356

IUPAC4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
SMILESCOCCC(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-9(2)13-6-4-10(12-13)8-11(14)5-7-15-3/h4,6,9H,5,7-8H2,1-3H3
InChIKeyKBMIXKYKPPIIFR-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.61
Rot. Bonds6

About 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one

4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one (PubChem CID 64771356) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
PubChem CID64771356
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
SMILESCOCCC(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C11H18N2O2/c1-9(2)13-6-4-10(12-13)8-11(14)5-7-15-3/h4,6,9H,5,7-8H2,1-3H3
InChIKeyKBMIXKYKPPIIFR-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(2-methylpyrazol-3-yl)butanoate
CID 102523556
1-[1-(propan-2-yl)-1H-pyrazol-3-yl]propan-2-one
CID 64773329
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
6-Methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024323
1-(2-Methylpyrazol-3-yl)-5-propoxypentan-3-one
CID 103024372
5-Methoxy-5-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024377
4,4,4-Trifluoro-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 64771355

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one?
The IUPAC name of 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one (CID 64771356) is 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one is COCCC(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one?
The InChIKey is KBMIXKYKPPIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)13-6-4-10(12-13)8-11(14)5-7-15-3/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one?
4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 64771356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).