(3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole

C23H20ClFN2O2 — CID 7453217

IUPAC(3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole
SMILESCOc1ccc([C@@H]2CC(c3ccccc3F)=NN2c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C23H20ClFN2O2/c1-28-17-11-12-19(23(13-17)29-2)22-14-21(18-5-3-4-6-20(18)25)26-27(22)16-9-7-15(24)8-10-16/h3-13,22H,14H2,1-2H3/t22-/m0/s1
InChIKeyLCNNZFRHYWTMBG-QFIPXVFZSA-N
MW410.88 g/mol
LogP5.85
Rot. Bonds5

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

(3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole (PubChem CID 7453217) has the molecular formula C23H20ClFN2O2 and a molecular weight of 410.88 g/mol. Its IUPAC name is (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole
PubChem CID7453217
Molecular FormulaC23H20ClFN2O2
Molecular Weight410.88 g/mol
Exact Mass410.12
IUPAC Name(3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole
SMILESCOc1ccc([C@@H]2CC(c3ccccc3F)=NN2c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C23H20ClFN2O2/c1-28-17-11-12-19(23(13-17)29-2)22-14-21(18-5-3-4-6-20(18)25)26-27(22)16-9-7-15(24)8-10-16/h3-13,22H,14H2,1-2H3/t22-/m0/s1
InChIKeyLCNNZFRHYWTMBG-QFIPXVFZSA-N
XLogP5.85
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 118095312
4-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 71597509
(3S)-2-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazole
CID 7290384
4-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 171343851
(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 26464811
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 46185758
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole?
The IUPAC name of (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole (CID 7453217) is (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole is COc1ccc([C@@H]2CC(c3ccccc3F)=NN2c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole?
The InChIKey is LCNNZFRHYWTMBG-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H20ClFN2O2/c1-28-17-11-12-19(23(13-17)29-2)22-14-21(18-5-3-4-6-20(18)25)26-27(22)16-9-7-15(24)8-10-16/h3-13,22H,14H2,1-2H3/t22-/m0/s1.
What are the key properties of (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole?
(3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole has a molecular weight of 410.88 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 7453217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).