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

C21H17FN2 — CID 101464946

IUPAC(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESFc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)20-15-21(16-9-3-1-4-10-16)24(23-20)17-11-5-2-6-12-17/h1-14,21H,15H2/t21-/m0/s1
InChIKeyLDTBUHRPAFOKQJ-NRFANRHFSA-N
MW316.38 g/mol
LogP5.18
Rot. Bonds3

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

(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole (PubChem CID 101464946) has the molecular formula C21H17FN2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
PubChem CID101464946
Molecular FormulaC21H17FN2
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESFc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)20-15-21(16-9-3-1-4-10-16)24(23-20)17-11-5-2-6-12-17/h1-14,21H,15H2/t21-/m0/s1
InChIKeyLDTBUHRPAFOKQJ-NRFANRHFSA-N
XLogP5.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 170722101
6-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenalene-1,3-dione
CID 20685192
N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 11405575
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-amine
CID 92982843
(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole (CID 101464946) is (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole is Fc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The InChIKey is LDTBUHRPAFOKQJ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)20-15-21(16-9-3-1-4-10-16)24(23-20)17-11-5-2-6-12-17/h1-14,21H,15H2/t21-/m0/s1.
What are the key properties of (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole has a molecular weight of 316.38 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 101464946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).