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

C20H16Cl2F3N3O2 — CID 57458631

IUPAC1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(NC(CO)Cc1ccc(Cl)cc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C20H16Cl2F3N3O2/c21-13-7-5-12(6-8-13)9-14(11-29)26-19(30)17-10-18(20(23,24)25)27-28(17)16-4-2-1-3-15(16)22/h1-8,10,14,29H,9,11H2,(H,26,30)
InChIKeyVSZAEIAQIMEBEG-UHFFFAOYSA-N
MW458.27 g/mol
LogP4.53
Rot. Bonds6

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

1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 57458631) has the molecular formula C20H16Cl2F3N3O2 and a molecular weight of 458.27 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID57458631
Molecular FormulaC20H16Cl2F3N3O2
Molecular Weight458.27 g/mol
Exact Mass457.06
IUPAC Name1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(NC(CO)Cc1ccc(Cl)cc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C20H16Cl2F3N3O2/c21-13-7-5-12(6-8-13)9-14(11-29)26-19(30)17-10-18(20(23,24)25)27-28(17)16-4-2-1-3-15(16)22/h1-8,10,14,29H,9,11H2,(H,26,30)
InChIKeyVSZAEIAQIMEBEG-UHFFFAOYSA-N
XLogP4.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.27
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide 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 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 57458631) is 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is O=C(NC(CO)Cc1ccc(Cl)cc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is VSZAEIAQIMEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F3N3O2/c21-13-7-5-12(6-8-13)9-14(11-29)26-19(30)17-10-18(20(23,24)25)27-28(17)16-4-2-1-3-15(16)22/h1-8,10,14,29H,9,11H2,(H,26,30).
What are the key properties of 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 458.27 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[1-(4-chlorophenyl)-3-hydroxypropan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57458631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).