(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole

C16H15FN2 — CID 102160988

IUPAC(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccccc2)[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C16H15FN2/c1-12-10-16(13-6-5-7-14(17)11-13)19(18-12)15-8-3-2-4-9-15/h2-9,11,16H,10H2,1H3/t16-/m0/s1
InChIKeySNXUTAMXBVMKJH-INIZCTEOSA-N
MW254.31 g/mol
LogP4.15
Rot. Bonds2

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

(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole (PubChem CID 102160988) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
PubChem CID102160988
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
SMILESCC1=NN(c2ccccc2)[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C16H15FN2/c1-12-10-16(13-6-5-7-14(17)11-13)19(18-12)15-8-3-2-4-9-15/h2-9,11,16H,10H2,1H3/t16-/m0/s1
InChIKeySNXUTAMXBVMKJH-INIZCTEOSA-N
XLogP4.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-methyl-2,3-diphenyl-3,4-dihydropyrazole
CID 684236
(3S)-3-(4-chlorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole
CID 102160984
(3S)-2-(3-fluorophenyl)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazole
CID 7188125
(3R)-5-(4-bromophenyl)-2-(3-fluorophenyl)-3-phenyl-3,4-dihydropyrazole
CID 7452769
[4-(5-methyl-2-phenyl-3,4-dihydropyrazol-3-yl)phenyl]methanesulfinate
CID 174449441
ethane;5-methyl-2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole
CID 153380641
2,3-bis(4-chlorophenyl)-5-methyl-3,4-dihydropyrazole
CID 135029399
(3S)-2-(4-fluorophenyl)-5-methyl-3-(4-methylsulfonylphenyl)-3,4-dihydropyrazole
CID 44632375
(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-amine
CID 92982843
(3S)-5-(2-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 101464946
4-[5-(2,5-dimethylphenyl)-3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 17129645
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole (CID 102160988) is (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole is CC1=NN(c2ccccc2)[C@H](c2cccc(F)c2)C1.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole?
The InChIKey is SNXUTAMXBVMKJH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15FN2/c1-12-10-16(13-6-5-7-14(17)11-13)19(18-12)15-8-3-2-4-9-15/h2-9,11,16H,10H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole?
(3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole has a molecular weight of 254.31 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-5-methyl-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 102160988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).