1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one

C7H10N2O2 — CID 157487303

IUPAC1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one
SMILESCCC(=O)c1[nH]ncc1OC
InChIInChI=1S/C7H10N2O2/c1-3-5(10)7-6(11-2)4-8-9-7/h4H,3H2,1-2H3,(H,8,9)
InChIKeyBMLWJMHQDUAKCC-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.01
Rot. Bonds3

About 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one

1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one (PubChem CID 157487303) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one
PubChem CID157487303
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one
SMILESCCC(=O)c1[nH]ncc1OC
InChIInChI=1S/C7H10N2O2/c1-3-5(10)7-6(11-2)4-8-9-7/h4H,3H2,1-2H3,(H,8,9)
InChIKeyBMLWJMHQDUAKCC-UHFFFAOYSA-N
XLogP1.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one (CID 157487303) is 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one is CCC(=O)c1[nH]ncc1OC.
What is the InChIKey of 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one?
The InChIKey is BMLWJMHQDUAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-5(10)7-6(11-2)4-8-9-7/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one?
1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one has a molecular weight of 154.17 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1H-pyrazol-5-yl)propan-1-one is sourced from PubChem (CID 157487303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).