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

C21H15Cl2FN2 — CID 7720074

IUPAC(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1Cl
InChIInChI=1S/C21H15Cl2FN2/c22-15-11-9-14(10-12-15)19-13-21(16-5-1-2-6-17(16)23)26(25-19)20-8-4-3-7-18(20)24/h1-12,21H,13H2/t21-/m0/s1
InChIKeyFBUKMCGTAINNAJ-NRFANRHFSA-N
MW385.27 g/mol
LogP6.49
Rot. Bonds3

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

(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole (PubChem CID 7720074) has the molecular formula C21H15Cl2FN2 and a molecular weight of 385.27 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
PubChem CID7720074
Molecular FormulaC21H15Cl2FN2
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
SMILESFc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1Cl
InChIInChI=1S/C21H15Cl2FN2/c22-15-11-9-14(10-12-15)19-13-21(16-5-1-2-6-17(16)23)26(25-19)20-8-4-3-7-18(20)24/h1-12,21H,13H2/t21-/m0/s1
InChIKeyFBUKMCGTAINNAJ-NRFANRHFSA-N
XLogP6.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.27
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7242051
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841
2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142858
3-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 46502754
3-(4-bromophenyl)-5-(2-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 3143263
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
(3S)-3-(4-bromophenyl)-2-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7453348
4-[(3S)-2-(2-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]benzonitrile
CID 102391374
3-(4-bromophenyl)-5-(3-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 3142860
5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-2-(2-methylphenyl)-3,4-dihydropyrazole
CID 3065977
5-(4-chlorophenyl)-2-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole
CID 3770049
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3448032

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole (CID 7720074) is (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole is Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1Cl.
What is the InChIKey of (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
The InChIKey is FBUKMCGTAINNAJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H15Cl2FN2/c22-15-11-9-14(10-12-15)19-13-21(16-5-1-2-6-17(16)23)26(25-19)20-8-4-3-7-18(20)24/h1-12,21H,13H2/t21-/m0/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole?
(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole has a molecular weight of 385.27 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 7720074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).