5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide

C23H21F3N4O3 — CID 154055082

IUPAC5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESCCNC(=O)n1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2O)cc1C1CC1
InChIInChI=1S/C23H21F3N4O3/c1-2-27-22(33)30-19(13-6-7-13)12-18(29-30)17-11-16(8-9-20(17)31)28-21(32)14-4-3-5-15(10-14)23(24,25)26/h3-5,8-13,31H,2,6-7H2,1H3,(H,27,33)(H,28,32)
InChIKeySMMPWUJLWDXHCD-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.98
Rot. Bonds5

About 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide

5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154055082) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
PubChem CID154055082
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESCCNC(=O)n1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2O)cc1C1CC1
InChIInChI=1S/C23H21F3N4O3/c1-2-27-22(33)30-19(13-6-7-13)12-18(29-30)17-11-16(8-9-20(17)31)28-21(32)14-4-3-5-15(10-14)23(24,25)26/h3-5,8-13,31H,2,6-7H2,1H3,(H,27,33)(H,28,32)
InChIKeySMMPWUJLWDXHCD-UHFFFAOYSA-N
XLogP4.98
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055048
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055074
5-cyclopentyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055056
5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056071
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154056050
5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055973
N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055519
3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-propylpyrazole-1-carboxamide
CID 154054449
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055045
N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154054336
3-[5-(1,3-benzodioxole-5-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054446
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055018

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The IUPAC name of 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide (CID 154055082) is 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide is CCNC(=O)n1nc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2O)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The InChIKey is SMMPWUJLWDXHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-2-27-22(33)30-19(13-6-7-13)12-18(29-30)17-11-16(8-9-20(17)31)28-21(32)14-4-3-5-15(10-14)23(24,25)26/h3-5,8-13,31H,2,6-7H2,1H3,(H,27,33)(H,28,32).
What are the key properties of 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).