5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole

C23H19F3N2 — CID 177454345

IUPAC5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole
SMILESFC(F)(F)C1(C2CC2)CC(c2ccccc2)=NN1c1ccc2ccccc2c1
InChIInChI=1S/C23H19F3N2/c24-23(25,26)22(19-11-12-19)15-21(17-7-2-1-3-8-17)27-28(22)20-13-10-16-6-4-5-9-18(16)14-20/h1-10,13-14,19H,11-12,15H2
InChIKeyIBZZCVJCJOCAIQ-UHFFFAOYSA-N
MW380.41 g/mol
LogP6.17
Rot. Bonds3

About 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole

5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole (PubChem CID 177454345) has the molecular formula C23H19F3N2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole
PubChem CID177454345
Molecular FormulaC23H19F3N2
Molecular Weight380.41 g/mol
Exact Mass380.15
IUPAC Name5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole
SMILESFC(F)(F)C1(C2CC2)CC(c2ccccc2)=NN1c1ccc2ccccc2c1
InChIInChI=1S/C23H19F3N2/c24-23(25,26)22(19-11-12-19)15-21(17-7-2-1-3-8-17)27-28(22)20-13-10-16-6-4-5-9-18(16)14-20/h1-10,13-14,19H,11-12,15H2
InChIKeyIBZZCVJCJOCAIQ-UHFFFAOYSA-N
XLogP6.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 3713594
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947
[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol
CID 72734788
(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 7374228
5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 3124415
5-ethenyl-1,3,5-triphenyl-4H-pyrazole
CID 13152578
2-[2-[5-hydroxy-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-oxo-1,3-thiazol-5-ylidene]acetic acid
CID 4136431
(5R)-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 690721
3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2742980
2-(5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazol-3-yl)-1H-indole
CID 21231803
2-naphthalen-2-yltriazole
CID 67293733
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 4987184

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole?
The IUPAC name of 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole (CID 177454345) is 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole.
What is the SMILES notation for 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole?
The canonical SMILES for 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole is FC(F)(F)C1(C2CC2)CC(c2ccccc2)=NN1c1ccc2ccccc2c1.
What is the InChIKey of 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole?
The InChIKey is IBZZCVJCJOCAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2/c24-23(25,26)22(19-11-12-19)15-21(17-7-2-1-3-8-17)27-28(22)20-13-10-16-6-4-5-9-18(16)14-20/h1-10,13-14,19H,11-12,15H2.
What are the key properties of 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole?
5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole has a molecular weight of 380.41 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole is sourced from PubChem (CID 177454345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).