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

C20H18N4O — CID 1483047

IUPAC5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c1-14-13-18(23(21-14)16-9-5-3-6-10-16)19-15(2)22-24(20(19)25)17-11-7-4-8-12-17/h3-13,22H,1-2H3
InChIKeyMBZINFISJNLCQJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.64
Rot. Bonds3

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

5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 1483047) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one
PubChem CID1483047
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H18N4O/c1-14-13-18(23(21-14)16-9-5-3-6-10-16)19-15(2)22-24(20(19)25)17-11-7-4-8-12-17/h3-13,22H,1-2H3
InChIKeyMBZINFISJNLCQJ-UHFFFAOYSA-N
XLogP3.64
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one (CID 1483047) is 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one is Cc1cc(-c2c(C)[nH]n(-c3ccccc3)c2=O)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is MBZINFISJNLCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-13-18(23(21-14)16-9-5-3-6-10-16)19-15(2)22-24(20(19)25)17-11-7-4-8-12-17/h3-13,22H,1-2H3.
What are the key properties of 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one?
5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 330.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 1483047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).