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

C22H19ClN2O — CID 3065971

IUPAC5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1N1N=C(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C22H19ClN2O/c1-26-22-10-6-5-9-20(22)25-21(17-7-3-2-4-8-17)15-19(24-25)16-11-13-18(23)14-12-16/h2-14,21H,15H2,1H3
InChIKeyCBLJWFRQQZYVCR-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.70
Rot. Bonds4

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

5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole (PubChem CID 3065971) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole
PubChem CID3065971
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1N1N=C(c2ccc(Cl)cc2)CC1c1ccccc1
InChIInChI=1S/C22H19ClN2O/c1-26-22-10-6-5-9-20(22)25-21(17-7-3-2-4-8-17)15-19(24-25)16-11-13-18(23)14-12-16/h2-14,21H,15H2,1H3
InChIKeyCBLJWFRQQZYVCR-UHFFFAOYSA-N
XLogP5.70
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole (CID 3065971) is 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole is COc1ccccc1N1N=C(c2ccc(Cl)cc2)CC1c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole?
The InChIKey is CBLJWFRQQZYVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-26-22-10-6-5-9-20(22)25-21(17-7-3-2-4-8-17)15-19(24-25)16-11-13-18(23)14-12-16/h2-14,21H,15H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole?
5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole has a molecular weight of 362.86 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 3065971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).