N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide

C18H16F2N4O3 — CID 136992611

IUPACN-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1cc(=O)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)c[nH]1
InChIInChI=1S/C18H16F2N4O3/c1-3-27-16-8-15(25)10(9-21-16)14-7-13(23-24(14)2)18(26)22-17-11(19)5-4-6-12(17)20/h4-9H,3H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyMSQJIZDYXWWCBR-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.70
Rot. Bonds5

About N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide

N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 136992611) has the molecular formula C18H16F2N4O3 and a molecular weight of 374.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide
PubChem CID136992611
Molecular FormulaC18H16F2N4O3
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC NameN-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1cc(=O)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)c[nH]1
InChIInChI=1S/C18H16F2N4O3/c1-3-27-16-8-15(25)10(9-21-16)14-7-13(23-24(14)2)18(26)22-17-11(19)5-4-6-12(17)20/h4-9H,3H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyMSQJIZDYXWWCBR-UHFFFAOYSA-N
XLogP2.70
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide
CID 144864576
5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 118174017
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 91810757
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
5-(4-chloro-6-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;N-(2,6-difluorophenyl)-5-[4-(dimethylamino)-6-methoxy-3-pyridinyl]-1-methylpyrazole-3-carboxamide
CID 159964397
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 118617243
N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
CID 118609412
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
5-(2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 62268890

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide (CID 136992611) is N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide is CCOc1cc(=O)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)c[nH]1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is MSQJIZDYXWWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3/c1-3-27-16-8-15(25)10(9-21-16)14-7-13(23-24(14)2)18(26)22-17-11(19)5-4-6-12(17)20/h4-9H,3H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide?
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 374.35 g/mol, XLogP of 2.70, 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)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).