4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane

C19H23ClN2 — CID 155722749

IUPAC4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane
SMILESCC.Cc1ccc(C2=C(c3ccc(Cl)cc3)CNN2)c(C)c1
InChIInChI=1S/C17H17ClN2.C2H6/c1-11-3-8-15(12(2)9-11)17-16(10-19-20-17)13-4-6-14(18)7-5-13;1-2/h3-9,19-20H,10H2,1-2H3;1-2H3
InChIKeyXSWJFGTVNCYZFC-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.96
Rot. Bonds2

About 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane

4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane (PubChem CID 155722749) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane
PubChem CID155722749
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane
SMILESCC.Cc1ccc(C2=C(c3ccc(Cl)cc3)CNN2)c(C)c1
InChIInChI=1S/C17H17ClN2.C2H6/c1-11-3-8-15(12(2)9-11)17-16(10-19-20-17)13-4-6-14(18)7-5-13;1-2/h3-9,19-20H,10H2,1-2H3;1-2H3
InChIKeyXSWJFGTVNCYZFC-UHFFFAOYSA-N
XLogP4.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174694335
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
6-chloro-2-(4-chlorophenyl)-3-methyl-1H-indene
CID 142711675
5-(2,4-dimethylphenyl)-2-fluorophenol
CID 53219279
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
5-chloro-2-(2,4-dimethylphenyl)benzaldehyde
CID 66161659
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methylphenoxy]-4-methylbenzene
CID 23024265
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1-chloro-4-methylbenzene;ethane;toluene
CID 159482529

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane?
The IUPAC name of 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane (CID 155722749) is 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane?
The canonical SMILES for 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane is CC.Cc1ccc(C2=C(c3ccc(Cl)cc3)CNN2)c(C)c1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane?
The InChIKey is XSWJFGTVNCYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2.C2H6/c1-11-3-8-15(12(2)9-11)17-16(10-19-20-17)13-4-6-14(18)7-5-13;1-2/h3-9,19-20H,10H2,1-2H3;1-2H3.
What are the key properties of 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane?
4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane has a molecular weight of 314.86 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(2,4-dimethylphenyl)-2,3-dihydro-1H-pyrazole;ethane is sourced from PubChem (CID 155722749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).