2-methyl-5-propan-2-yl-4H-pyrazol-3-one

C7H12N2O — CID 10855544

IUPAC2-methyl-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(C)C(=O)C1
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-7(10)9(3)8-6/h5H,4H2,1-3H3
InChIKeyWPQPFSSBBYCLEA-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.86
Rot. Bonds1

About 2-methyl-5-propan-2-yl-4H-pyrazol-3-one

2-methyl-5-propan-2-yl-4H-pyrazol-3-one (PubChem CID 10855544) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-4H-pyrazol-3-one
PubChem CID10855544
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-methyl-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(C)C(=O)C1
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-7(10)9(3)8-6/h5H,4H2,1-3H3
InChIKeyWPQPFSSBBYCLEA-UHFFFAOYSA-N
XLogP0.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-propan-2-yl-4H-pyrazol-3-one (CID 10855544) is 2-methyl-5-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-propan-2-yl-4H-pyrazol-3-one is CC(C)C1=NN(C)C(=O)C1.
What is the InChIKey of 2-methyl-5-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is WPQPFSSBBYCLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)6-4-7(10)9(3)8-6/h5H,4H2,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-4H-pyrazol-3-one?
2-methyl-5-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 10855544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).