2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone

C11H18N2O2 — CID 105082191

IUPAC2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone
SMILESCCCn1cc(C(=O)COC(C)C)cn1
InChIInChI=1S/C11H18N2O2/c1-4-5-13-7-10(6-12-13)11(14)8-15-9(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNHYPNPQEDNHRND-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.90
Rot. Bonds6

About 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone

2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone (PubChem CID 105082191) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone
PubChem CID105082191
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone
SMILESCCCn1cc(C(=O)COC(C)C)cn1
InChIInChI=1S/C11H18N2O2/c1-4-5-13-7-10(6-12-13)11(14)8-15-9(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNHYPNPQEDNHRND-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851
1-(1-propylpyrazol-4-yl)dodecan-1-one
CID 114963871
ethyl 4-oxo-4-(1-propylpyrazol-4-yl)butanoate
CID 103572842
4,4,4-trifluoro-1-(1-propylpyrazol-4-yl)butan-1-one
CID 79953421
3-(4-aminophenyl)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116612661
4-(2-aminoethyl)-5-methyl-1-(1-propylpyrazol-4-yl)hexan-1-one
CID 116577813
4-(methylamino)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116555498
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
3-methyl-4-oxo-4-(1-propylpyrazol-4-yl)butanenitrile
CID 103572527
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
2-cyclohexyl-2-methoxy-1-(1-propylpyrazol-4-yl)ethanone
CID 116750961

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone?
The IUPAC name of 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone (CID 105082191) is 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone is CCCn1cc(C(=O)COC(C)C)cn1.
What is the InChIKey of 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone?
The InChIKey is NHYPNPQEDNHRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-13-7-10(6-12-13)11(14)8-15-9(2)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone?
2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone has a molecular weight of 210.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-(1-propylpyrazol-4-yl)ethanone is sourced from PubChem (CID 105082191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).