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

C22H18ClFN2O — CID 3144804

IUPAC2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClFN2O/c1-27-20-12-4-16(5-13-20)22-14-21(15-2-8-18(24)9-3-15)25-26(22)19-10-6-17(23)7-11-19/h2-13,22H,14H2,1H3
InChIKeyLJWJICDRHFOGMP-UHFFFAOYSA-N
MW380.85 g/mol
LogP5.84
Rot. Bonds4

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

2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 3144804) has the molecular formula C22H18ClFN2O and a molecular weight of 380.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID3144804
Molecular FormulaC22H18ClFN2O
Molecular Weight380.85 g/mol
Exact Mass380.11
IUPAC Name2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClFN2O/c1-27-20-12-4-16(5-13-20)22-14-21(15-2-8-18(24)9-3-15)25-26(22)19-10-6-17(23)7-11-19/h2-13,22H,14H2,1H3
InChIKeyLJWJICDRHFOGMP-UHFFFAOYSA-N
XLogP5.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.85
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine
CID 4262391
2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 11835945

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole (CID 3144804) is 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole is COc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is LJWJICDRHFOGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O/c1-27-20-12-4-16(5-13-20)22-14-21(15-2-8-18(24)9-3-15)25-26(22)19-10-6-17(23)7-11-19/h2-13,22H,14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole?
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 380.85 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 3144804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).