N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide

C11H9F2N3O — CID 9209583

IUPACN-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C11H9F2N3O/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(12)4-9(10)13/h2-6H,1H3,(H,15,17)
InChIKeyKZWCHQWPVWWXBW-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.95
Rot. Bonds2

About N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide

N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 9209583) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID9209583
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC NameN-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)cc2F)cn1
InChIInChI=1S/C11H9F2N3O/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(12)4-9(10)13/h2-6H,1H3,(H,15,17)
InChIKeyKZWCHQWPVWWXBW-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

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N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide (CID 9209583) is N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(F)cc2F)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is KZWCHQWPVWWXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-16-6-7(5-14-16)11(17)15-10-3-2-8(12)4-9(10)13/h2-6H,1H3,(H,15,17).
What are the key properties of N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-methylpyrazole-4-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-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 9209583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).