1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H17ClF3N5O — CID 112807606

About 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 112807606) has the molecular formula C22H17ClF3N5O and a molecular weight of 459.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 112807606
• Molecular Formula: C22H17ClF3N5O
• Molecular Weight: 459.86 g/mol
• Exact Mass: 459.11
• IUPAC Name: 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1ccc(Cn2nccc2NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1
• InChI: InChI=1S/C22H17ClF3N5O/c1-14-2-4-15(5-3-14)13-30-19(10-11-27-30)29-21(32)18-12-28-31(20(18)22(24,25)26)17-8-6-16(23)7-9-17/h2-12H,13H2,1H3,(H,29,32)
• InChIKey: FDYMEMPNNPADHV-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.86
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 112807606) is 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is FDYMEMPNNPADHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O/c1-14-2-4-15(5-3-14)13-30-19(10-11-27-30)29-21(32)18-12-28-31(20(18)22(24,25)26)17-8-6-16(23)7-9-17/h2-12H,13H2,1H3,(H,29,32).

What are the key properties of 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 459.86 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 112807606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).