2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

C21H17F3N2 — CID 2732995

IUPAC2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESCN1N=C(c2ccc3ccccc3c2)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2/c1-26-20(15-8-10-18(11-9-15)21(22,23)24)13-19(25-26)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3
InChIKeyPELXYJMVHMDLKQ-UHFFFAOYSA-N
MW354.38 g/mol
LogP5.64
Rot. Bonds2

About 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole

2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (PubChem CID 2732995) has the molecular formula C21H17F3N2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
PubChem CID2732995
Molecular FormulaC21H17F3N2
Molecular Weight354.38 g/mol
Exact Mass354.13
IUPAC Name2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole
SMILESCN1N=C(c2ccc3ccccc3c2)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N2/c1-26-20(15-8-10-18(11-9-15)21(22,23)24)13-19(25-26)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3
InChIKeyPELXYJMVHMDLKQ-UHFFFAOYSA-N
XLogP5.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.38
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The IUPAC name of 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole (CID 2732995) is 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole.
What is the SMILES notation for 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The canonical SMILES for 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is CN1N=C(c2ccc3ccccc3c2)CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
The InChIKey is PELXYJMVHMDLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2/c1-26-20(15-8-10-18(11-9-15)21(22,23)24)13-19(25-26)17-7-6-14-4-2-3-5-16(14)12-17/h2-12,20H,13H2,1H3.
What are the key properties of 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole?
2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole has a molecular weight of 354.38 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-naphthalen-2-yl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole is sourced from PubChem (CID 2732995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).