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

C22H18ClFN2O — CID 7215001

IUPAC(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3cccc(F)c3)[C@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C22H18ClFN2O/c1-27-20-11-7-15(8-12-20)21-14-22(16-5-9-17(23)10-6-16)26(25-21)19-4-2-3-18(24)13-19/h2-13,22H,14H2,1H3/t22-/m0/s1
InChIKeyXZKVRSONVAZJQA-QFIPXVFZSA-N
MW380.85 g/mol
LogP5.84
Rot. Bonds4

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

(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 7215001) has the molecular formula C22H18ClFN2O and a molecular weight of 380.85 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID7215001
Molecular FormulaC22H18ClFN2O
Molecular Weight380.85 g/mol
Exact Mass380.11
IUPAC Name(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3cccc(F)c3)[C@H](c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C22H18ClFN2O/c1-27-20-11-7-15(8-12-20)21-14-22(16-5-9-17(23)10-6-16)26(25-21)19-4-2-3-18(24)13-19/h2-13,22H,14H2,1H3/t22-/m0/s1
InChIKeyXZKVRSONVAZJQA-QFIPXVFZSA-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

Analyze (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole with MolForge

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Related Compounds

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
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
3-(4-bromophenyl)-2-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3290155
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
3-(4-chlorophenyl)-2-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46500935
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
N-(4-chlorophenyl)-1-[4-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methanimine
CID 4262391

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole (CID 7215001) is (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(c3cccc(F)c3)[C@H](c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is XZKVRSONVAZJQA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H18ClFN2O/c1-27-20-11-7-15(8-12-20)21-14-22(16-5-9-17(23)10-6-16)26(25-21)19-4-2-3-18(24)13-19/h2-13,22H,14H2,1H3/t22-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(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 (3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 7215001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).