5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

C14H14F4N4O — CID 157022662

IUPAC5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(F)c(-n2nc(N)cc2C)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C14H14F4N4O/c1-7-3-10(15)11(22-8(2)4-12(19)21-22)5-9(7)13(23)20-6-14(16,17)18/h3-5H,6H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyIKARQOIZKOMBEW-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.50
Rot. Bonds3

About 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide

5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 157022662) has the molecular formula C14H14F4N4O and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID157022662
Molecular FormulaC14H14F4N4O
Molecular Weight330.29 g/mol
Exact Mass330.11
IUPAC Name5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1cc(F)c(-n2nc(N)cc2C)cc1C(=O)NCC(F)(F)F
InChIInChI=1S/C14H14F4N4O/c1-7-3-10(15)11(22-8(2)4-12(19)21-22)5-9(7)13(23)20-6-14(16,17)18/h3-5H,6H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeyIKARQOIZKOMBEW-UHFFFAOYSA-N
XLogP2.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 157022662) is 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1cc(F)c(-n2nc(N)cc2C)cc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IKARQOIZKOMBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O/c1-7-3-10(15)11(22-8(2)4-12(19)21-22)5-9(7)13(23)20-6-14(16,17)18/h3-5H,6H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide?
5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 330.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-5-methylpyrazol-1-yl)-4-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 157022662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).