3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

C19H17F3N4O — CID 143981845

IUPAC3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C)c(N)c1
InChIInChI=1S/C19H17F3N4O/c1-11-5-3-4-6-15(11)24-18(27)13-7-8-16(14(23)10-13)26-12(2)9-17(25-26)19(20,21)22/h3-10H,23H2,1-2H3,(H,24,27)
InChIKeyAUNKTOHNFCCNTM-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.34
Rot. Bonds3

About 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 143981845) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID143981845
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCc1ccccc1NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C)c(N)c1
InChIInChI=1S/C19H17F3N4O/c1-11-5-3-4-6-15(11)24-18(27)13-7-8-16(14(23)10-13)26-12(2)9-17(25-26)19(20,21)22/h3-10H,23H2,1-2H3,(H,24,27)
InChIKeyAUNKTOHNFCCNTM-UHFFFAOYSA-N
XLogP4.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 143981845) is 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is Cc1ccccc1NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C)c(N)c1.
What is the InChIKey of 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is AUNKTOHNFCCNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-11-5-3-4-6-15(11)24-18(27)13-7-8-16(14(23)10-13)26-12(2)9-17(25-26)19(20,21)22/h3-10H,23H2,1-2H3,(H,24,27).
What are the key properties of 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 374.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylphenyl)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 143981845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).