5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide

C26H30N4O3 — CID 154054824

IUPAC5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
SMILESCc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)C(C)C)ccc3O)cc2C2CCC2)cc1
InChIInChI=1S/C26H30N4O3/c1-16(2)25(32)28-20-11-12-24(31)21(13-20)22-14-23(19-5-4-6-19)30(29-22)26(33)27-15-18-9-7-17(3)8-10-18/h7-14,16,19,31H,4-6,15H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyRPRJSBIOKMLPNF-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.18
Rot. Bonds6

About 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide

5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154054824) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
PubChem CID154054824
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
SMILESCc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)C(C)C)ccc3O)cc2C2CCC2)cc1
InChIInChI=1S/C26H30N4O3/c1-16(2)25(32)28-20-11-12-24(31)21(13-20)22-14-23(19-5-4-6-19)30(29-22)26(33)27-15-18-9-7-17(3)8-10-18/h7-14,16,19,31H,4-6,15H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyRPRJSBIOKMLPNF-UHFFFAOYSA-N
XLogP5.18
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
CID 154055808
5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154055801
N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054278
5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide
CID 158014744
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054774
5-cyclopropyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054426
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056019
5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054399
5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154054230
5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056086
N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054461
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154054824) is 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide is Cc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)C(C)C)ccc3O)cc2C2CCC2)cc1.
What is the InChIKey of 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is RPRJSBIOKMLPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-16(2)25(32)28-20-11-12-24(31)21(13-20)22-14-23(19-5-4-6-19)30(29-22)26(33)27-15-18-9-7-17(3)8-10-18/h7-14,16,19,31H,4-6,15H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?
5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).