phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene

C19H22N4 — CID 13112669

IUPACphenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene
SMILESCC1=NN(c2ccccc2)C(C)(/N=N/c2ccccc2)C1(C)C
InChIInChI=1S/C19H22N4/c1-15-18(2,3)19(4,22-20-16-11-7-5-8-12-16)23(21-15)17-13-9-6-10-14-17/h5-14H,1-4H3/b22-20+
InChIKeyOVVWKWQGZAMAJE-LSDHQDQOSA-N
MW306.41 g/mol
LogP5.41
Rot. Bonds3

About phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene

phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene (PubChem CID 13112669) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene.

Molecular Properties

Compound Namephenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene
PubChem CID13112669
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Namephenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene
SMILESCC1=NN(c2ccccc2)C(C)(/N=N/c2ccccc2)C1(C)C
InChIInChI=1S/C19H22N4/c1-15-18(2,3)19(4,22-20-16-11-7-5-8-12-16)23(21-15)17-13-9-6-10-14-17/h5-14H,1-4H3/b22-20+
InChIKeyOVVWKWQGZAMAJE-LSDHQDQOSA-N
XLogP5.41
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-Tert-butyl-3,3-dimethyl-6,8-diphenyl-1,2,4,6,7-pentazaspiro[4.4]nona-1,7-diene
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N-(cyclopentylideneamino)-N-phenylaniline
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N-methyl-N-[(E)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline
CID 44512523
methyl-ethylketone N,N-diphenylhydrazone
CID 86007817
N-(pentan-3-ylideneamino)-N-phenylaniline
CID 86243850
N-[(4-methylcyclohexylidene)amino]-N-phenylaniline
CID 4170053
N-methyl-N-[(Z)-[(3E)-3-[methyl(phenyl)hydrazinylidene]butan-2-ylidene]amino]aniline
CID 6916195
CID 10358846
CID 10358846
4,4,5-trimethyl-2-phenyl-3H-pyrazole
CID 13436704
N-[(E)-1-cyclopentylethylideneamino]-N-phenylaniline
CID 59064052
N-(1-cyclopentylethylideneamino)-N-phenylaniline
CID 72504950
N-(hexan-2-ylideneamino)-N-phenylaniline
CID 87707518

Frequently Asked Questions

What is the IUPAC name of phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene?
The IUPAC name of phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene (CID 13112669) is phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene.
What is the SMILES notation for phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene?
The canonical SMILES for phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene is CC1=NN(c2ccccc2)C(C)(/N=N/c2ccccc2)C1(C)C.
What is the InChIKey of phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene?
The InChIKey is OVVWKWQGZAMAJE-LSDHQDQOSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-18(2,3)19(4,22-20-16-11-7-5-8-12-16)23(21-15)17-13-9-6-10-14-17/h5-14H,1-4H3/b22-20+.
What are the key properties of phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene?
phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene has a molecular weight of 306.41 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3,4,4,5-tetramethyl-2-phenylpyrazol-3-yl)diazene is sourced from PubChem (CID 13112669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).