5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one

C14H14N4O — CID 1483050

IUPAC5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n[nH]1
InChIInChI=1S/C14H14N4O/c1-9-8-12(16-15-9)13-10(2)17-18(14(13)19)11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,15,16)
InChIKeyFIEHVVWIDZDOTI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.17
Rot. Bonds2

About 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one

5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 1483050) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one
PubChem CID1483050
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n[nH]1
InChIInChI=1S/C14H14N4O/c1-9-8-12(16-15-9)13-10(2)17-18(14(13)19)11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,15,16)
InChIKeyFIEHVVWIDZDOTI-UHFFFAOYSA-N
XLogP2.17
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one (CID 1483050) is 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one is Cc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n[nH]1.
What is the InChIKey of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is FIEHVVWIDZDOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-8-12(16-15-9)13-10(2)17-18(14(13)19)11-6-4-3-5-7-11/h3-8,17H,1-2H3,(H,15,16).
What are the key properties of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one?
5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 254.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 1483050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).