3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide

C11H10F2N4O — CID 79773151

IUPAC3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2c(F)ccc(N)c2F)cn1
InChIInChI=1S/C11H10F2N4O/c1-17-5-6(4-15-17)16-11(18)9-7(12)2-3-8(14)10(9)13/h2-5H,14H2,1H3,(H,16,18)
InChIKeyJPCJBSBMTYMXEC-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.53
Rot. Bonds2

About 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide

3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 79773151) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID79773151
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC Name3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2c(F)ccc(N)c2F)cn1
InChIInChI=1S/C11H10F2N4O/c1-17-5-6(4-15-17)16-11(18)9-7(12)2-3-8(14)10(9)13/h2-5H,14H2,1H3,(H,16,18)
InChIKeyJPCJBSBMTYMXEC-UHFFFAOYSA-N
XLogP1.53
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
5-amino-2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 62816464
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
3-amino-N-(4-ethylphenyl)-2,6-difluorobenzamide
CID 79773210
5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595216
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595356
3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 89283904
1,3,5-trimethyl-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 32607033
3-amino-2,6-difluoro-N-(1,2-oxazol-3-yl)benzamide
CID 79773668
2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 32605512
3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide
CID 83012407
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide (CID 79773151) is 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2c(F)ccc(N)c2F)cn1.
What is the InChIKey of 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is JPCJBSBMTYMXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c1-17-5-6(4-15-17)16-11(18)9-7(12)2-3-8(14)10(9)13/h2-5H,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide?
3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 252.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 79773151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).