N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide

C19H19F3N4O2 — CID 123891426

IUPACN-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide
SMILESCCOc1ncc(C2=CC(C(=O)Nc3c(F)cccc3F)NN2C)c(C)c1F
InChIInChI=1S/C19H19F3N4O2/c1-4-28-19-16(22)10(2)11(9-23-19)15-8-14(25-26(15)3)18(27)24-17-12(20)6-5-7-13(17)21/h5-9,14,25H,4H2,1-3H3,(H,24,27)
InChIKeyMSJRNHJKINGEQK-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.00
Rot. Bonds5

About N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide

N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide (PubChem CID 123891426) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide
PubChem CID123891426
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide
SMILESCCOc1ncc(C2=CC(C(=O)Nc3c(F)cccc3F)NN2C)c(C)c1F
InChIInChI=1S/C19H19F3N4O2/c1-4-28-19-16(22)10(2)11(9-23-19)15-8-14(25-26(15)3)18(27)24-17-12(20)6-5-7-13(17)21/h5-9,14,25H,4H2,1-3H3,(H,24,27)
InChIKeyMSJRNHJKINGEQK-UHFFFAOYSA-N
XLogP3.00
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-3-[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,5-dihydropyrazole-5-carboxamide
CID 123715463
2-(2,6-difluoroanilino)-1-[3-(6-ethoxy-4-phenylmethoxy-1,2-dihydropyridin-3-yl)-2-methyl-1,5-dihydropyrazol-5-yl]ethanone
CID 144864554
N-(2,6-difluorophenyl)-5-(6-ethoxy-2-methyl-3-pyridinyl)-1-methylpyrazolidine-3-carboxamide
CID 123308132
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)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 118130752
1-[3-(6-chloro-4-methyl-1,2-dihydropyridin-3-yl)-2-methyl-1,5-dihydropyrazol-5-yl]-2-(2,6-difluoroanilino)ethanone;ethane
CID 144864643
1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-methoxy-3-pyridinyl)pyrazolidine-3-carboxamide
CID 123714290
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide (CID 123891426) is N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide is CCOc1ncc(C2=CC(C(=O)Nc3c(F)cccc3F)NN2C)c(C)c1F.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide?
The InChIKey is MSJRNHJKINGEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-4-28-19-16(22)10(2)11(9-23-19)15-8-14(25-26(15)3)18(27)24-17-12(20)6-5-7-13(17)21/h5-9,14,25H,4H2,1-3H3,(H,24,27).
What are the key properties of N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide?
N-(2,6-difluorophenyl)-3-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.00, 5 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-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-2-methyl-1,5-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 123891426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).