3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole

C20H20N2 — CID 142971782

IUPAC3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole
SMILESC=CCC1=C(C)N(c2ccccc2)N(c2ccccc2)C1=C
InChIInChI=1S/C20H20N2/c1-4-11-20-16(2)21(18-12-7-5-8-13-18)22(17(20)3)19-14-9-6-10-15-19/h4-10,12-15H,1-2,11H2,3H3
InChIKeyZMVWQFDWYTVUJS-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.29
Rot. Bonds4

About 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole

3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole (PubChem CID 142971782) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole.

Molecular Properties

Compound Name3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole
PubChem CID142971782
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole
SMILESC=CCC1=C(C)N(c2ccccc2)N(c2ccccc2)C1=C
InChIInChI=1S/C20H20N2/c1-4-11-20-16(2)21(18-12-7-5-8-13-18)22(17(20)3)19-14-9-6-10-15-19/h4-10,12-15H,1-2,11H2,3H3
InChIKeyZMVWQFDWYTVUJS-UHFFFAOYSA-N
XLogP5.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-Nitrosodiphenylamine
CID 6838
N,N-Diphenylhydrazine
CID 10739
Solvent Yellow 56
CID 17204
Hydrazine, 1,1-diphenyl-, hydrochloride (1:1)
CID 10738
Methyldiphenylamine
CID 11098
Triazene, 1,3-diphenyl-1-cyanomethyl-
CID 555398
4-[[4-(dimethylamino)phenyl]diselanyl]-N,N-dimethylaniline
CID 5324144
Benzenamine, 4,4'-(1,2-diazenediyl)bis[N,N-dimethyl-
CID 22626
Simtrazene
CID 5357669
1,2-Diphenylpyrazolidine
CID 143999
N-Tert-butyl-N-nitrosoaniline
CID 3336608
1,1,2,2-Tetraphenylhydrazine
CID 96041

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole?
The IUPAC name of 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole (CID 142971782) is 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole.
What is the SMILES notation for 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole?
The canonical SMILES for 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole is C=CCC1=C(C)N(c2ccccc2)N(c2ccccc2)C1=C.
What is the InChIKey of 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole?
The InChIKey is ZMVWQFDWYTVUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-4-11-20-16(2)21(18-12-7-5-8-13-18)22(17(20)3)19-14-9-6-10-15-19/h4-10,12-15H,1-2,11H2,3H3.
What are the key properties of 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole?
3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole has a molecular weight of 288.39 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-1,2-diphenyl-4-prop-2-enylpyrazole is sourced from PubChem (CID 142971782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).