N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide

C18H15F5N4O2 — CID 123715463

IUPACN-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide
SMILESCOc1cc(C(F)(F)F)ncc1C1=CC(C(=O)Nc2c(F)cccc2F)NN1C
InChIInChI=1S/C18H15F5N4O2/c1-27-13(9-8-24-15(18(21,22)23)7-14(9)29-2)6-12(26-27)17(28)25-16-10(19)4-3-5-11(16)20/h3-8,12,26H,1-2H3,(H,25,28)
InChIKeyKKCKVGAKDJRXEX-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.19
Rot. Bonds4

About N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide

N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide (PubChem CID 123715463) has the molecular formula C18H15F5N4O2 and a molecular weight of 414.33 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide
PubChem CID123715463
Molecular FormulaC18H15F5N4O2
Molecular Weight414.33 g/mol
Exact Mass414.11
IUPAC NameN-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide
SMILESCOc1cc(C(F)(F)F)ncc1C1=CC(C(=O)Nc2c(F)cccc2F)NN1C
InChIInChI=1S/C18H15F5N4O2/c1-27-13(9-8-24-15(18(21,22)23)7-14(9)29-2)6-12(26-27)17(28)25-16-10(19)4-3-5-11(16)20/h3-8,12,26H,1-2H3,(H,25,28)
InChIKeyKKCKVGAKDJRXEX-UHFFFAOYSA-N
XLogP3.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide
CID 123891426
N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 118130752
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
N-(2,6-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126094414
N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1005497
2-(2,6-difluoroanilino)-1-[3-[6-ethoxy-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-2-methyl-1,5-dihydropyrazol-5-yl]ethanone;ethane
CID 144864599
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide
CID 123714290
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
5-N-(2,6-difluorophenyl)-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108890
4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151046

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide (CID 123715463) is N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide is COc1cc(C(F)(F)F)ncc1C1=CC(C(=O)Nc2c(F)cccc2F)NN1C.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide?
The InChIKey is KKCKVGAKDJRXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4O2/c1-27-13(9-8-24-15(18(21,22)23)7-14(9)29-2)6-12(26-27)17(28)25-16-10(19)4-3-5-11(16)20/h3-8,12,26H,1-2H3,(H,25,28).
What are the key properties of N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide?
N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide has a molecular weight of 414.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 123715463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).