5-cyclopropyl-2-methyl-4H-pyrazol-3-one

C7H10N2O — CID 57425045

IUPAC5-cyclopropyl-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(C2CC2)CC1=O
InChIInChI=1S/C7H10N2O/c1-9-7(10)4-6(8-9)5-2-3-5/h5H,2-4H2,1H3
InChIKeyASIMTHXMZSLSDW-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.61
Rot. Bonds1

About 5-cyclopropyl-2-methyl-4H-pyrazol-3-one

5-cyclopropyl-2-methyl-4H-pyrazol-3-one (PubChem CID 57425045) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-4H-pyrazol-3-one
PubChem CID57425045
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-cyclopropyl-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(C2CC2)CC1=O
InChIInChI=1S/C7H10N2O/c1-9-7(10)4-6(8-9)5-2-3-5/h5H,2-4H2,1H3
InChIKeyASIMTHXMZSLSDW-UHFFFAOYSA-N
XLogP0.61
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 2735686
1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CID 10855544
2-methyl-2H,3H,3aH,4H,5H,6H-cyclopenta[c]pyrazol-3-one
CID 20801972
5-(1-fluorocyclopropyl)-2-methyl-4H-pyrazol-3-one
CID 118869804
4,4-Difluoro-2-methyl-5-propan-2-ylpyrazol-3-one
CID 176692182
1-Methyl-3-n-propyl-2-pyrazolin-5-one
CID 520516
5-cyclopropyl-2-octyl-4H-pyrazol-3-one
CID 15752183
2,4,4-Trimethyl-5-propan-2-ylpyrazol-3-one
CID 23388603
2,4,6-Trimethyl-4,5-dihydropyridazin-3-one
CID 58694567
4-Ethyl-2,6-dimethyl-4,5-dihydropyridazin-3-one
CID 58694580
2-ethyl-5-propan-2-yl-4H-pyrazol-3-one
CID 60983478
5-cyclopropyl-2-propan-2-yl-4H-pyrazol-3-one
CID 63353400

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-methyl-4H-pyrazol-3-one (CID 57425045) is 5-cyclopropyl-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-methyl-4H-pyrazol-3-one is CN1N=C(C2CC2)CC1=O.
What is the InChIKey of 5-cyclopropyl-2-methyl-4H-pyrazol-3-one?
The InChIKey is ASIMTHXMZSLSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9-7(10)4-6(8-9)5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 5-cyclopropyl-2-methyl-4H-pyrazol-3-one?
5-cyclopropyl-2-methyl-4H-pyrazol-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 57425045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).