2-cyclopropyl-5-methyl-1H-pyrazol-3-one

C7H10N2O — CID 126971897

IUPAC2-cyclopropyl-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2CC2)[nH]1
InChIInChI=1S/C7H10N2O/c1-5-4-7(10)9(8-5)6-2-3-6/h4,6,8H,2-3H2,1H3
InChIKeyUHOPDQHKMMHAII-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds1

About 2-cyclopropyl-5-methyl-1H-pyrazol-3-one

2-cyclopropyl-5-methyl-1H-pyrazol-3-one (PubChem CID 126971897) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-1H-pyrazol-3-one
PubChem CID126971897
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-cyclopropyl-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(C2CC2)[nH]1
InChIInChI=1S/C7H10N2O/c1-5-4-7(10)9(8-5)6-2-3-6/h4,6,8H,2-3H2,1H3
InChIKeyUHOPDQHKMMHAII-UHFFFAOYSA-N
XLogP0.82
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-cyclopropyl-5-methyl-1H-pyrazol-3-one (CID 126971897) is 2-cyclopropyl-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopropyl-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclopropyl-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-5-methyl-1H-pyrazol-3-one?
The InChIKey is UHOPDQHKMMHAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-4-7(10)9(8-5)6-2-3-6/h4,6,8H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-1H-pyrazol-3-one?
2-cyclopropyl-5-methyl-1H-pyrazol-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 126971897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).