(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole

C24H21Cl2FN2O3 — CID 7104195

IUPAC(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc(Cl)c(Cl)c2)c(OC)c1OC
InChIInChI=1S/C24H21Cl2FN2O3/c1-30-22-11-9-17(23(31-2)24(22)32-3)21-13-20(14-4-6-15(27)7-5-14)28-29(21)16-8-10-18(25)19(26)12-16/h4-12,21H,13H2,1-3H3/t21-/m0/s1
InChIKeyZCJBPFKUGHKOKM-NRFANRHFSA-N
MW475.35 g/mol
LogP6.51
Rot. Bonds6

About (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole

(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole (PubChem CID 7104195) has the molecular formula C24H21Cl2FN2O3 and a molecular weight of 475.35 g/mol. Its IUPAC name is (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
PubChem CID7104195
Molecular FormulaC24H21Cl2FN2O3
Molecular Weight475.35 g/mol
Exact Mass474.09
IUPAC Name(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc(Cl)c(Cl)c2)c(OC)c1OC
InChIInChI=1S/C24H21Cl2FN2O3/c1-30-22-11-9-17(23(31-2)24(22)32-3)21-13-20(14-4-6-15(27)7-5-14)28-29(21)16-8-10-18(25)19(26)12-16/h4-12,21H,13H2,1-3H3/t21-/m0/s1
InChIKeyZCJBPFKUGHKOKM-NRFANRHFSA-N
XLogP6.51
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.35
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
CID 2939465
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 10600488
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
(3S)-2-(4-tert-butylphenyl)-3-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 7104178
4-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 71597509
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
2-(3-chlorophenyl)-3-(2,3-difluoro-4-methoxyphenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 118095312
(5S,10bS)-9-chloro-5-(2,3-dimethoxyphenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92837754
(3R)-3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazole
CID 26464811

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole (CID 7104195) is (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole is COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc(Cl)c(Cl)c2)c(OC)c1OC.
What is the InChIKey of (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is ZCJBPFKUGHKOKM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21Cl2FN2O3/c1-30-22-11-9-17(23(31-2)24(22)32-3)21-13-20(14-4-6-15(27)7-5-14)28-29(21)16-8-10-18(25)19(26)12-16/h4-12,21H,13H2,1-3H3/t21-/m0/s1.
What are the key properties of (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole?
(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 475.35 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 7104195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).