4-methyl-5-phenyl-1,2-dihydropyrazol-3-one

C10H10N2O — CID 11321248

IUPAC4-methyl-5-phenyl-1,2-dihydropyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH][nH]c1=O
InChIInChI=1S/C10H10N2O/c1-7-9(11-12-10(7)13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13)
InChIKeyKITWZJXZJOOKTF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.68
Rot. Bonds1

About 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one

4-methyl-5-phenyl-1,2-dihydropyrazol-3-one (PubChem CID 11321248) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-1,2-dihydropyrazol-3-one
PubChem CID11321248
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-methyl-5-phenyl-1,2-dihydropyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH][nH]c1=O
InChIInChI=1S/C10H10N2O/c1-7-9(11-12-10(7)13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13)
InChIKeyKITWZJXZJOOKTF-UHFFFAOYSA-N
XLogP1.68
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one (CID 11321248) is 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one is Cc1c(-c2ccccc2)[nH][nH]c1=O.
What is the InChIKey of 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one?
The InChIKey is KITWZJXZJOOKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-9(11-12-10(7)13)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12,13).
What are the key properties of 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one?
4-methyl-5-phenyl-1,2-dihydropyrazol-3-one has a molecular weight of 174.20 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 11321248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).