N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide

C17H11F4N3O — CID 90271466

IUPACN,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)cccc2F)cc1-c1c(F)cccc1F
InChIInChI=1S/C17H11F4N3O/c1-24-14(15-9(18)4-2-5-10(15)19)8-13(23-24)17(25)22-16-11(20)6-3-7-12(16)21/h2-8H,1H3,(H,22,25)
InChIKeyAPRSQKBLTRGMRH-UHFFFAOYSA-N
MW349.29 g/mol
LogP3.90
Rot. Bonds3

About N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide

N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 90271466) has the molecular formula C17H11F4N3O and a molecular weight of 349.29 g/mol. Its IUPAC name is N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID90271466
Molecular FormulaC17H11F4N3O
Molecular Weight349.29 g/mol
Exact Mass349.08
IUPAC NameN,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)cccc2F)cc1-c1c(F)cccc1F
InChIInChI=1S/C17H11F4N3O/c1-24-14(15-9(18)4-2-5-10(15)19)8-13(23-24)17(25)22-16-11(20)6-3-7-12(16)21/h2-8H,1H3,(H,22,25)
InChIKeyAPRSQKBLTRGMRH-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 91810757
N-(2-fluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271500
5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 118174017
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271499
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide
CID 136992611
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761
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)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide
CID 144864576
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-(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

Frequently Asked Questions

What is the IUPAC name of N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide (CID 90271466) is N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2c(F)cccc2F)cc1-c1c(F)cccc1F.
What is the InChIKey of N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is APRSQKBLTRGMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O/c1-24-14(15-9(18)4-2-5-10(15)19)8-13(23-24)17(25)22-16-11(20)6-3-7-12(16)21/h2-8H,1H3,(H,22,25).
What are the key properties of N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 349.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 90271466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).