3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide

C25H23ClF3N3O — CID 19786518

IUPAC3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
SMILESCCN1C(c2ccc(Cl)cc2)C(c2ccccc2)CN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23ClF3N3O/c1-2-31-23(18-8-12-20(26)13-9-18)22(17-6-4-3-5-7-17)16-32(31)24(33)30-21-14-10-19(11-15-21)25(27,28)29/h3-15,22-23H,2,16H2,1H3,(H,30,33)
InChIKeyLEWAPJTVJPCGNR-UHFFFAOYSA-N
MW473.93 g/mol
LogP6.97
Rot. Bonds4

About 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide

3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide (PubChem CID 19786518) has the molecular formula C25H23ClF3N3O and a molecular weight of 473.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
PubChem CID19786518
Molecular FormulaC25H23ClF3N3O
Molecular Weight473.93 g/mol
Exact Mass473.15
IUPAC Name3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
SMILESCCN1C(c2ccc(Cl)cc2)C(c2ccccc2)CN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H23ClF3N3O/c1-2-31-23(18-8-12-20(26)13-9-18)22(17-6-4-3-5-7-17)16-32(31)24(33)30-21-14-10-19(11-15-21)25(27,28)29/h3-15,22-23H,2,16H2,1H3,(H,30,33)
InChIKeyLEWAPJTVJPCGNR-UHFFFAOYSA-N
XLogP6.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.93
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 19786510
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
(3S,4S)-N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412284
4-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111996
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[4-(trifluoromethyl)phenyl]azetidine-1,2-dicarboxamide
CID 25233758
(3S,4S)-N-(3,4-difluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412268
(4S)-N-(4-chlorophenyl)-2-oxo-4-phenylpyrrolidine-1-carboxamide
CID 6542346
(2R,3R)-1-ethyl-2,3-diphenylazetidine
CID 100941432
3-[1-[(4-chlorophenyl)carbamoyl]-3-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanoic acid
CID 46883032
ethyl (1R,6S)-2-oxo-6-phenyl-4-[4-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylate
CID 1267087

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide (CID 19786518) is 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide is CCN1C(c2ccc(Cl)cc2)C(c2ccccc2)CN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The InChIKey is LEWAPJTVJPCGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N3O/c1-2-31-23(18-8-12-20(26)13-9-18)22(17-6-4-3-5-7-17)16-32(31)24(33)30-21-14-10-19(11-15-21)25(27,28)29/h3-15,22-23H,2,16H2,1H3,(H,30,33).
What are the key properties of 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide has a molecular weight of 473.93 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-ethyl-4-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide is sourced from PubChem (CID 19786518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).