N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide

C25H26N4O4 — CID 154055966

IUPACN,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NC4CC4)n3)c(O)c2)cc1
InChIInChI=1S/C25H26N4O4/c1-2-33-19-10-5-16(6-11-19)24(31)26-18-9-12-20(23(30)13-18)21-14-22(15-3-4-15)29(28-21)25(32)27-17-7-8-17/h5-6,9-15,17,30H,2-4,7-8H2,1H3,(H,26,31)(H,27,32)
InChIKeyFLGLVTOFWWVDCM-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.50
Rot. Bonds7

About N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide

N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide (PubChem CID 154055966) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
PubChem CID154055966
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NC4CC4)n3)c(O)c2)cc1
InChIInChI=1S/C25H26N4O4/c1-2-33-19-10-5-16(6-11-19)24(31)26-18-9-12-20(23(30)13-18)21-14-22(15-3-4-15)29(28-21)25(32)27-17-7-8-17/h5-6,9-15,17,30H,2-4,7-8H2,1H3,(H,26,31)(H,27,32)
InChIKeyFLGLVTOFWWVDCM-UHFFFAOYSA-N
XLogP4.50
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054854
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055940
5-cyclobutyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055937
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055933
5-cyclobutyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055947
5-cyclobutyl-N-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154054324
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154054230
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056031

Frequently Asked Questions

What is the IUPAC name of N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide?
The IUPAC name of N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide (CID 154055966) is N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide?
The canonical SMILES for N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide is CCOc1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NC4CC4)n3)c(O)c2)cc1.
What is the InChIKey of N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide?
The InChIKey is FLGLVTOFWWVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-2-33-19-10-5-16(6-11-19)24(31)26-18-9-12-20(23(30)13-18)21-14-22(15-3-4-15)29(28-21)25(32)27-17-7-8-17/h5-6,9-15,17,30H,2-4,7-8H2,1H3,(H,26,31)(H,27,32).
What are the key properties of N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide?
N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dicyclopropyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).