N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide

C24H16Cl2F3N3O2 — CID 46087781

IUPACN-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1
InChIInChI=1S/C24H16Cl2F3N3O2/c1-34-18-8-5-14(6-9-18)20-13-22(32(31-20)21-12-17(25)7-10-19(21)26)30-23(33)15-3-2-4-16(11-15)24(27,28)29/h2-13H,1H3,(H,30,33)
InChIKeyVTPXQPIWVWPBCJ-UHFFFAOYSA-N
MW506.31 g/mol
LogP7.13
Rot. Bonds5

About N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide

N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide (PubChem CID 46087781) has the molecular formula C24H16Cl2F3N3O2 and a molecular weight of 506.31 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
PubChem CID46087781
Molecular FormulaC24H16Cl2F3N3O2
Molecular Weight506.31 g/mol
Exact Mass505.06
IUPAC NameN-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1
InChIInChI=1S/C24H16Cl2F3N3O2/c1-34-18-8-5-14(6-9-18)20-13-22(32(31-20)21-12-17(25)7-10-19(21)26)30-23(33)15-3-2-4-16(11-15)24(27,28)29/h2-13H,1H3,(H,30,33)
InChIKeyVTPXQPIWVWPBCJ-UHFFFAOYSA-N
XLogP7.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.31
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide (CID 46087781) is N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide is COc1ccc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is VTPXQPIWVWPBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O2/c1-34-18-8-5-14(6-9-18)20-13-22(32(31-20)21-12-17(25)7-10-19(21)26)30-23(33)15-3-2-4-16(11-15)24(27,28)29/h2-13H,1H3,(H,30,33).
What are the key properties of N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide?
N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 506.31 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46087781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).