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

C25H25F3N4O4 — CID 154054336

IUPACN-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESCCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2O)cc1C1CC1
InChIInChI=1S/C25H25F3N4O4/c1-3-14(2)29-24(35)32-21(15-4-5-15)13-20(31-32)19-12-17(8-11-22(19)33)30-23(34)16-6-9-18(10-7-16)36-25(26,27)28/h6-15,33H,3-5H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyBZNUOMAHMOXJHT-UHFFFAOYSA-N
MW502.49 g/mol
LogP5.64
Rot. Bonds7

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

N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154054336) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
PubChem CID154054336
Molecular FormulaC25H25F3N4O4
Molecular Weight502.49 g/mol
Exact Mass502.18
IUPAC NameN-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESCCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2O)cc1C1CC1
InChIInChI=1S/C25H25F3N4O4/c1-3-14(2)29-24(35)32-21(15-4-5-15)13-20(31-32)19-12-17(8-11-22(19)33)30-23(34)16-6-9-18(10-7-16)36-25(26,27)28/h6-15,33H,3-5H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyBZNUOMAHMOXJHT-UHFFFAOYSA-N
XLogP5.64
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.49
LogP ≤ 55.64
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-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055006
5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154054324
N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide
CID 154054734
5-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055328
5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
CID 154054872
3-(4-acetamido-2-hydroxyphenyl)-N-butan-2-yl-5-cyclobutylpyrazole-1-carboxamide
CID 154055774
5-cyclobutyl-3-[2-hydroxy-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055324
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
5-cyclobutyl-N-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054854
5-cyclopropyl-N-ethyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055082
N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055966
3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide
CID 154055223

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide (CID 154054336) is N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide is CCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2O)cc1C1CC1.
What is the InChIKey of N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The InChIKey is BZNUOMAHMOXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-3-14(2)29-24(35)32-21(15-4-5-15)13-20(31-32)19-12-17(8-11-22(19)33)30-23(34)16-6-9-18(10-7-16)36-25(26,27)28/h6-15,33H,3-5H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 502.49 g/mol, XLogP of 5.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).