N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H9F2N3O — CID 60757426

IUPACN-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2N3O/c1-6-8(5-14-16-6)11(17)15-7-2-3-9(12)10(13)4-7/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyNFNCYVZXNICKPP-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.25
Rot. Bonds2

About N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 60757426) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID60757426
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC NameN-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2N3O/c1-6-8(5-14-16-6)11(17)15-7-2-3-9(12)10(13)4-7/h2-5H,1H3,(H,14,16)(H,15,17)
InChIKeyNFNCYVZXNICKPP-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 60757361
N-(6-fluoro-3-pyridinyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103789931
N-(3-iodo-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63997812
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471
methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63998429
N-(3,4-difluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068229
N-(4-ethylsulfonylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998428
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103274927
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685
N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83088170
5-amino-N-(4-fluoro-3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 114840514

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 60757426) is N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is NFNCYVZXNICKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-6-8(5-14-16-6)11(17)15-7-2-3-9(12)10(13)4-7/h2-5H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 237.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60757426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).