5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide

C30H30N4O4 — CID 154055130

IUPAC5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c1
InChIInChI=1S/C30H30N4O4/c1-38-28-13-6-5-12-23(28)29(36)32-22-14-15-27(35)24(18-22)25-19-26(21-10-7-11-21)34(33-25)30(37)31-17-16-20-8-3-2-4-9-20/h2-6,8-9,12-15,18-19,21,35H,7,10-11,16-17H2,1H3,(H,31,37)(H,32,36)
InChIKeyYBHAEOBJXGONOU-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.58
Rot. Bonds8

About 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide

5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide (PubChem CID 154055130) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
PubChem CID154055130
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c1
InChIInChI=1S/C30H30N4O4/c1-38-28-13-6-5-12-23(28)29(36)32-22-14-15-27(35)24(18-22)25-19-26(21-10-7-11-21)34(33-25)30(37)31-17-16-20-8-3-2-4-9-20/h2-6,8-9,12-15,18-19,21,35H,7,10-11,16-17H2,1H3,(H,31,37)(H,32,36)
InChIKeyYBHAEOBJXGONOU-UHFFFAOYSA-N
XLogP5.58
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.58
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-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055131
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055134
5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056141
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154056129
5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154056139
5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055634
5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055417
5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055737
5-cyclobutyl-3-[2-hydroxy-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055324

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide (CID 154055130) is 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide is COc1ccccc1C(=O)Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c1.
What is the InChIKey of 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The InChIKey is YBHAEOBJXGONOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-38-28-13-6-5-12-23(28)29(36)32-22-14-15-27(35)24(18-22)25-19-26(21-10-7-11-21)34(33-25)30(37)31-17-16-20-8-3-2-4-9-20/h2-6,8-9,12-15,18-19,21,35H,7,10-11,16-17H2,1H3,(H,31,37)(H,32,36).
What are the key properties of 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 5.58, 8 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-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 154055130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).