1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C22H20ClF3N4O3 — CID 46884918

IUPAC1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C22H20ClF3N4O3/c1-2-33-17-9-3-14(4-10-17)20(31)27-11-12-28-21(32)18-13-30(29-19(18)22(24,25)26)16-7-5-15(23)6-8-16/h3-10,13H,2,11-12H2,1H3,(H,27,31)(H,28,32)
InChIKeyNJZJNSBOGYALCY-UHFFFAOYSA-N
MW480.87 g/mol
LogP4.10
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46884918) has the molecular formula C22H20ClF3N4O3 and a molecular weight of 480.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46884918
Molecular FormulaC22H20ClF3N4O3
Molecular Weight480.87 g/mol
Exact Mass480.12
IUPAC Name1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C22H20ClF3N4O3/c1-2-33-17-9-3-14(4-10-17)20(31)27-11-12-28-21(32)18-13-30(29-19(18)22(24,25)26)16-7-5-15(23)6-8-16/h3-10,13H,2,11-12H2,1H3,(H,27,31)(H,28,32)
InChIKeyNJZJNSBOGYALCY-UHFFFAOYSA-N
XLogP4.10
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.87
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
1-(4-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884919
1-(3-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884949
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-(2-hydroxyphenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46885000
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
6-chloro-3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67617161
N-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]-4-ethoxybenzamide
CID 1236024
3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 24250013

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 46884918) is 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccc(Cl)cc3)nc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NJZJNSBOGYALCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O3/c1-2-33-17-9-3-14(4-10-17)20(31)27-11-12-28-21(32)18-13-30(29-19(18)22(24,25)26)16-7-5-15(23)6-8-16/h3-10,13H,2,11-12H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 480.87 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46884918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).