4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide

C26H26ClF3N4O — CID 59632981

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)C2CC2)CC1
InChIInChI=1S/C26H26ClF3N4O/c1-32-14-12-20(13-15-32)33(19-10-11-19)25(35)18-8-6-17(7-9-18)23-16-24(26(28,29)30)31-34(23)22-5-3-2-4-21(22)27/h2-9,16,19-20H,10-15H2,1H3
InChIKeyCHWGPFIBVMYAQA-UHFFFAOYSA-N
MW502.97 g/mol
LogP5.91
Rot. Bonds5

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 59632981) has the molecular formula C26H26ClF3N4O and a molecular weight of 502.97 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID59632981
Molecular FormulaC26H26ClF3N4O
Molecular Weight502.97 g/mol
Exact Mass502.17
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)C2CC2)CC1
InChIInChI=1S/C26H26ClF3N4O/c1-32-14-12-20(13-15-32)33(19-10-11-19)25(35)18-8-6-17(7-9-18)23-16-24(26(28,29)30)31-34(23)22-5-3-2-4-21(22)27/h2-9,16,19-20H,10-15H2,1H3
InChIKeyCHWGPFIBVMYAQA-UHFFFAOYSA-N
XLogP5.91
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.97
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide (CID 59632981) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)C2CC2)CC1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is CHWGPFIBVMYAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N4O/c1-32-14-12-20(13-15-32)33(19-10-11-19)25(35)18-8-6-17(7-9-18)23-16-24(26(28,29)30)31-34(23)22-5-3-2-4-21(22)27/h2-9,16,19-20H,10-15H2,1H3.
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 502.97 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 59632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).