5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide

C30H30N4O4 — CID 154054230

IUPAC5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
SMILESCOc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3O)cc2C2CCC2)cc1
InChIInChI=1S/C30H30N4O4/c1-19-6-10-22(11-7-19)29(36)32-23-12-15-25(28(35)16-23)26-17-27(21-4-3-5-21)34(33-26)30(37)31-18-20-8-13-24(38-2)14-9-20/h6-17,21,35H,3-5,18H2,1-2H3,(H,31,37)(H,32,36)
InChIKeySXELTQDOKDQHHA-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.85
Rot. Bonds7

About 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide

5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154054230) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
PubChem CID154054230
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
SMILESCOc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3O)cc2C2CCC2)cc1
InChIInChI=1S/C30H30N4O4/c1-19-6-10-22(11-7-19)29(36)32-23-12-15-25(28(35)16-23)26-17-27(21-4-3-5-21)34(33-26)30(37)31-18-20-8-13-24(38-2)14-9-20/h6-17,21,35H,3-5,18H2,1-2H3,(H,31,37)(H,32,36)
InChIKeySXELTQDOKDQHHA-UHFFFAOYSA-N
XLogP5.85
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056019
N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054461
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056031
5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056141
N-[4-[5-cyclopropyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-4-carboxamide
CID 154055483
5-cyclobutyl-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154055247
5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154055801
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055940
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056071
5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056086
5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055837

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide (CID 154054230) is 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide is COc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3O)cc2C2CCC2)cc1.
What is the InChIKey of 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is SXELTQDOKDQHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-19-6-10-22(11-7-19)29(36)32-23-12-15-25(28(35)16-23)26-17-27(21-4-3-5-21)34(33-26)30(37)31-18-20-8-13-24(38-2)14-9-20/h6-17,21,35H,3-5,18H2,1-2H3,(H,31,37)(H,32,36).
What are the key properties of 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide?
5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).