[3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone

C19H22N4O — CID 2860152

IUPAC[3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(C)(NN(C)c2ccccc2)C1
InChIInChI=1S/C19H22N4O/c1-15-14-19(2,21-22(3)17-12-8-5-9-13-17)23(20-15)18(24)16-10-6-4-7-11-16/h4-13,21H,14H2,1-3H3
InChIKeyNOFGZZKBWWMPOQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.27
Rot. Bonds4

About [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone

[3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 2860152) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID2860152
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(C)(NN(C)c2ccccc2)C1
InChIInChI=1S/C19H22N4O/c1-15-14-19(2,21-22(3)17-12-8-5-9-13-17)23(20-15)18(24)16-10-6-4-7-11-16/h4-13,21H,14H2,1-3H3
InChIKeyNOFGZZKBWWMPOQ-UHFFFAOYSA-N
XLogP3.27
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone (CID 2860152) is [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone is CC1=NN(C(=O)c2ccccc2)C(C)(NN(C)c2ccccc2)C1.
What is the InChIKey of [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is NOFGZZKBWWMPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-14-19(2,21-22(3)17-12-8-5-9-13-17)23(20-15)18(24)16-10-6-4-7-11-16/h4-13,21H,14H2,1-3H3.
What are the key properties of [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone?
[3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 322.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 2860152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).