N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide

C11H9F2N3O — CID 110467115

IUPACN-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H9F2N3O/c1-16-9(5-6-14-16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,15,17)
InChIKeyPFMCTLDZZRSTCZ-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.95
Rot. Bonds2

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

N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 110467115) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID110467115
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC NameN-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C11H9F2N3O/c1-16-9(5-6-14-16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,15,17)
InChIKeyPFMCTLDZZRSTCZ-UHFFFAOYSA-N
XLogP1.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62921141
N-(2-amino-6-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 55130611
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 67517600
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
methyl 1,5-dimethyl-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxylate
CID 95748149
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4121548

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide (CID 110467115) is N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is PFMCTLDZZRSTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-16-9(5-6-14-16)11(17)15-10-7(12)3-2-4-8(10)13/h2-6H,1H3,(H,15,17).
What are the key properties of N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide?
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 237.21 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110467115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).