5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole

C17H17ClN2 — CID 11842292

IUPAC5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole
SMILESCCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H17ClN2/c1-2-20-12-16(13-6-4-3-5-7-13)17(19-20)14-8-10-15(18)11-9-14/h3-11,16H,2,12H2,1H3
InChIKeyMSIQUURSTSWLPX-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.16
Rot. Bonds3

About 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole

5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole (PubChem CID 11842292) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole
PubChem CID11842292
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole
SMILESCCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H17ClN2/c1-2-20-12-16(13-6-4-3-5-7-13)17(19-20)14-8-10-15(18)11-9-14/h3-11,16H,2,12H2,1H3
InChIKeyMSIQUURSTSWLPX-UHFFFAOYSA-N
XLogP4.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole (CID 11842292) is 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole is CCN1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole?
The InChIKey is MSIQUURSTSWLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-2-20-12-16(13-6-4-3-5-7-13)17(19-20)14-8-10-15(18)11-9-14/h3-11,16H,2,12H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole?
5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole has a molecular weight of 284.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-ethyl-4-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 11842292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).