3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole

C26H21FN2 — CID 134613023

IUPAC3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCc1ccc(N2N=C(c3ccc4ccccc4c3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H21FN2/c1-18-6-14-24(15-7-18)29-26(20-10-12-23(27)13-11-20)17-25(28-29)22-9-8-19-4-2-3-5-21(19)16-22/h2-16,26H,17H2,1H3
InChIKeyRGEHZULYXYZVDI-UHFFFAOYSA-N
MW380.47 g/mol
LogP6.64
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole

3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole (PubChem CID 134613023) has the molecular formula C26H21FN2 and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole
PubChem CID134613023
Molecular FormulaC26H21FN2
Molecular Weight380.47 g/mol
Exact Mass380.17
IUPAC Name3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCc1ccc(N2N=C(c3ccc4ccccc4c3)CC2c2ccc(F)cc2)cc1
InChIInChI=1S/C26H21FN2/c1-18-6-14-24(15-7-18)29-26(20-10-12-23(27)13-11-20)17-25(28-29)22-9-8-19-4-2-3-5-21(19)16-22/h2-16,26H,17H2,1H3
InChIKeyRGEHZULYXYZVDI-UHFFFAOYSA-N
XLogP6.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole
CID 21231803
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 6925478
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914885
2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-naphthalen-2-yl-1,3-thiazole
CID 2858379
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940
2-(4-bromophenyl)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3144936
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole (CID 134613023) is 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole is Cc1ccc(N2N=C(c3ccc4ccccc4c3)CC2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole?
The InChIKey is RGEHZULYXYZVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2/c1-18-6-14-24(15-7-18)29-26(20-10-12-23(27)13-11-20)17-25(28-29)22-9-8-19-4-2-3-5-21(19)16-22/h2-16,26H,17H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole?
3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole has a molecular weight of 380.47 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 134613023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).