2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C22H17F4N5O — CID 118392870

IUPAC2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C22H17F4N5O/c1-30-9-8-18(28-30)14-10-15(17(23)11-16(14)22(24,25)26)21(32)27-19-12-31(2)29-20(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,27,32)
InChIKeyWLRKTFXVPQZEDP-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.90
Rot. Bonds4

About 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392870) has the molecular formula C22H17F4N5O and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392870
Molecular FormulaC22H17F4N5O
Molecular Weight443.40 g/mol
Exact Mass443.14
IUPAC Name2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
InChIInChI=1S/C22H17F4N5O/c1-30-9-8-18(28-30)14-10-15(17(23)11-16(14)22(24,25)26)21(32)27-19-12-31(2)29-20(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,27,32)
InChIKeyWLRKTFXVPQZEDP-UHFFFAOYSA-N
XLogP4.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118392870) is 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cn(C)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.
What is the InChIKey of 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is WLRKTFXVPQZEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O/c1-30-9-8-18(28-30)14-10-15(17(23)11-16(14)22(24,25)26)21(32)27-19-12-31(2)29-20(19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,27,32).
What are the key properties of 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 443.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methyl-3-phenylpyrazol-4-yl)-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).