6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine

C16H13F4N3 — CID 69192451

IUPAC6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine
SMILESCc1cc(F)ccc1-n1nc(C(F)(F)F)cc1C1=CC=CCN1
InChIInChI=1S/C16H13F4N3/c1-10-8-11(17)5-6-13(10)23-14(12-4-2-3-7-21-12)9-15(22-23)16(18,19)20/h2-6,8-9,21H,7H2,1H3
InChIKeyVCMKNNXVOBGTPJ-UHFFFAOYSA-N
MW323.29 g/mol
LogP3.84
Rot. Bonds2

About 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine

6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine (PubChem CID 69192451) has the molecular formula C16H13F4N3 and a molecular weight of 323.29 g/mol. Its IUPAC name is 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine
PubChem CID69192451
Molecular FormulaC16H13F4N3
Molecular Weight323.29 g/mol
Exact Mass323.10
IUPAC Name6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine
SMILESCc1cc(F)ccc1-n1nc(C(F)(F)F)cc1C1=CC=CCN1
InChIInChI=1S/C16H13F4N3/c1-10-8-11(17)5-6-13(10)23-14(12-4-2-3-7-21-12)9-15(22-23)16(18,19)20/h2-6,8-9,21H,7H2,1H3
InChIKeyVCMKNNXVOBGTPJ-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-8-methyl-4H-1,4-benzoxazin-3-one
CID 24883055
1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazol-3-amine
CID 79872711
3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315633
5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66020948
5-chloro-1-(4-fluoro-2-methylphenyl)-4-nitro-3-(trifluoromethyl)pyrazole
CID 66015918
5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 66015719
1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 155676510
2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
CID 150560380
2-(4-fluoro-2-methylphenyl)triazole
CID 69088112
5-amino-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxylic acid
CID 153408760
5-chloro-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-sulfonyl chloride
CID 82918734
2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021530

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine?
The IUPAC name of 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine (CID 69192451) is 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine.
What is the SMILES notation for 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine?
The canonical SMILES for 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine is Cc1cc(F)ccc1-n1nc(C(F)(F)F)cc1C1=CC=CCN1.
What is the InChIKey of 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine?
The InChIKey is VCMKNNXVOBGTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3/c1-10-8-11(17)5-6-13(10)23-14(12-4-2-3-7-21-12)9-15(22-23)16(18,19)20/h2-6,8-9,21H,7H2,1H3.
What are the key properties of 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine?
6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine has a molecular weight of 323.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-1,2-dihydropyridine is sourced from PubChem (CID 69192451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).