(2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone

C19H18N4O — CID 12027930

IUPAC(2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone
SMILESCN(C)/N=C/C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H18N4O/c1-22(2)20-13-18(24)17-14-23(16-11-7-4-8-12-16)21-19(17)15-9-5-3-6-10-15/h3-14H,1-2H3/b20-13+
InChIKeyWWILKDGMWZIZGN-DEDYPNTBSA-N
MW318.38 g/mol
LogP3.27
Rot. Bonds5

About (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone

(2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone (PubChem CID 12027930) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name(2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone
PubChem CID12027930
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone
SMILESCN(C)/N=C/C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H18N4O/c1-22(2)20-13-18(24)17-14-23(16-11-7-4-8-12-16)21-19(17)15-9-5-3-6-10-15/h3-14H,1-2H3/b20-13+
InChIKeyWWILKDGMWZIZGN-DEDYPNTBSA-N
XLogP3.27
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 15870546
2-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
CID 69067763
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
(2E)-2-[(1,3-diphenylpyrazole-4-carbonyl)hydrazinylidene]pentanedioic acid
CID 7859804
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone?
The IUPAC name of (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone (CID 12027930) is (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone.
What is the SMILES notation for (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone?
The canonical SMILES for (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone is CN(C)/N=C/C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone?
The InChIKey is WWILKDGMWZIZGN-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N4O/c1-22(2)20-13-18(24)17-14-23(16-11-7-4-8-12-16)21-19(17)15-9-5-3-6-10-15/h3-14H,1-2H3/b20-13+.
What are the key properties of (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone?
(2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone has a molecular weight of 318.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone is sourced from PubChem (CID 12027930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).