5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide

C25H23F3N4O4 — CID 154054324

IUPAC5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NC3CC3)n2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H23F3N4O4/c26-25(27,28)36-18-9-4-15(5-10-18)23(34)29-17-8-11-22(33)19(12-17)20-13-21(14-2-1-3-14)32(31-20)24(35)30-16-6-7-16/h4-5,8-14,16,33H,1-3,6-7H2,(H,29,34)(H,30,35)
InChIKeyOMZJWLAMTLXXLB-UHFFFAOYSA-N
MW500.48 g/mol
LogP5.39
Rot. Bonds6

About 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide

5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154054324) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
PubChem CID154054324
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC Name5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NC3CC3)n2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H23F3N4O4/c26-25(27,28)36-18-9-4-15(5-10-18)23(34)29-17-8-11-22(33)19(12-17)20-13-21(14-2-1-3-14)32(31-20)24(35)30-16-6-7-16/h4-5,8-14,16,33H,1-3,6-7H2,(H,29,34)(H,30,35)
InChIKeyOMZJWLAMTLXXLB-UHFFFAOYSA-N
XLogP5.39
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyclobutyl-N-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054854
N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154054336
5-cyclobutyl-3-[2-hydroxy-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055324
N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055966
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055006
5-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055328
N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054461
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
3-[5-[(4-tert-butylbenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]pyrazole-1-carboxamide
CID 154054937
5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
CID 154054872

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide (CID 154054324) is 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide is O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NC3CC3)n2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The InChIKey is OMZJWLAMTLXXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c26-25(27,28)36-18-9-4-15(5-10-18)23(34)29-17-8-11-22(33)19(12-17)20-13-21(14-2-1-3-14)32(31-20)24(35)30-16-6-7-16/h4-5,8-14,16,33H,1-3,6-7H2,(H,29,34)(H,30,35).
What are the key properties of 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).