2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide

C23H16ClF3N4O — CID 118392543

IUPAC2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cccnc3-c3ccccc3)c(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C23H16ClF3N4O/c1-31-11-9-19(30-31)15-12-16(18(24)13-17(15)23(25,26)27)22(32)29-20-8-5-10-28-21(20)14-6-3-2-4-7-14/h2-13H,1H3,(H,29,32)
InChIKeyJXRICZUSPUUSTJ-UHFFFAOYSA-N
MW456.86 g/mol
LogP6.07
Rot. Bonds4

About 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide

2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 118392543) has the molecular formula C23H16ClF3N4O and a molecular weight of 456.86 g/mol. Its IUPAC name is 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID118392543
Molecular FormulaC23H16ClF3N4O
Molecular Weight456.86 g/mol
Exact Mass456.10
IUPAC Name2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cccnc3-c3ccccc3)c(Cl)cc2C(F)(F)F)n1
InChIInChI=1S/C23H16ClF3N4O/c1-31-11-9-19(30-31)15-12-16(18(24)13-17(15)23(25,26)27)22(32)29-20-8-5-10-28-21(20)14-6-3-2-4-7-14/h2-13H,1H3,(H,29,32)
InChIKeyJXRICZUSPUUSTJ-UHFFFAOYSA-N
XLogP6.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide (CID 118392543) is 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cccnc3-c3ccccc3)c(Cl)cc2C(F)(F)F)n1.
What is the InChIKey of 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is JXRICZUSPUUSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O/c1-31-11-9-19(30-31)15-12-16(18(24)13-17(15)23(25,26)27)22(32)29-20-8-5-10-28-21(20)14-6-3-2-4-7-14/h2-13H,1H3,(H,29,32).
What are the key properties of 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide?
2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 456.86 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-methylpyrazol-3-yl)-N-(2-phenyl-3-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).