N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C21H20ClF3N4O — CID 55669268

IUPACN-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC(C)c2ccccc2Cl)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H20ClF3N4O/c1-12(2)19-16(20(30)28-13(3)15-6-4-5-7-17(15)22)11-27-29(19)18-9-8-14(10-26-18)21(23,24)25/h4-13H,1-3H3,(H,28,30)
InChIKeyAADIGZIEOBYRMO-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.55
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 55669268) has the molecular formula C21H20ClF3N4O and a molecular weight of 436.87 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID55669268
Molecular FormulaC21H20ClF3N4O
Molecular Weight436.87 g/mol
Exact Mass436.13
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC(C)c2ccccc2Cl)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H20ClF3N4O/c1-12(2)19-16(20(30)28-13(3)15-6-4-5-7-17(15)22)11-27-29(19)18-9-8-14(10-26-18)21(23,24)25/h4-13H,1-3H3,(H,28,30)
InChIKeyAADIGZIEOBYRMO-UHFFFAOYSA-N
XLogP5.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-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 N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 55669268) is N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CC(C)c1c(C(=O)NC(C)c2ccccc2Cl)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is AADIGZIEOBYRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O/c1-12(2)19-16(20(30)28-13(3)15-6-4-5-7-17(15)22)11-27-29(19)18-9-8-14(10-26-18)21(23,24)25/h4-13H,1-3H3,(H,28,30).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 436.87 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55669268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).