N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide

C28H27N5O3 — CID 154054469

IUPACN-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
SMILESCc1ccccc1CNC(=O)n1nc(-c2cc(NC(=O)c3ccncc3)ccc2O)cc1C1CCC1
InChIInChI=1S/C28H27N5O3/c1-18-5-2-3-6-21(18)17-30-28(36)33-25(19-7-4-8-19)16-24(32-33)23-15-22(9-10-26(23)34)31-27(35)20-11-13-29-14-12-20/h2-3,5-6,9-16,19,34H,4,7-8,17H2,1H3,(H,30,36)(H,31,35)
InChIKeyPTYUNJCVZJJMPC-UHFFFAOYSA-N
MW481.56 g/mol
LogP5.24
Rot. Bonds6

About N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide

N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide (PubChem CID 154054469) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
PubChem CID154054469
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
SMILESCc1ccccc1CNC(=O)n1nc(-c2cc(NC(=O)c3ccncc3)ccc2O)cc1C1CCC1
InChIInChI=1S/C28H27N5O3/c1-18-5-2-3-6-21(18)17-30-28(36)33-25(19-7-4-8-19)16-24(32-33)23-15-22(9-10-26(23)34)31-27(35)20-11-13-29-14-12-20/h2-3,5-6,9-16,19,34H,4,7-8,17H2,1H3,(H,30,36)(H,31,35)
InChIKeyPTYUNJCVZJJMPC-UHFFFAOYSA-N
XLogP5.24
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.56
LogP ≤ 55.24
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

3-[5-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054393
5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054244
5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054399
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054461
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
N-[4-[5-cyclopropyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-4-carboxamide
CID 154055483
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055018
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054273
5-cyclopentyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055056

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide (CID 154054469) is N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide is Cc1ccccc1CNC(=O)n1nc(-c2cc(NC(=O)c3ccncc3)ccc2O)cc1C1CCC1.
What is the InChIKey of N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide?
The InChIKey is PTYUNJCVZJJMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-18-5-2-3-6-21(18)17-30-28(36)33-25(19-7-4-8-19)16-24(32-33)23-15-22(9-10-26(23)34)31-27(35)20-11-13-29-14-12-20/h2-3,5-6,9-16,19,34H,4,7-8,17H2,1H3,(H,30,36)(H,31,35).
What are the key properties of N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide?
N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 5.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 154054469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).