N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

C28H27N5O3 — CID 154055504

IUPACN-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1cccnc1
InChIInChI=1S/C28H27N5O3/c34-26-15-22(31-27(35)21-11-6-14-29-18-21)12-13-23(26)24-16-25(20-9-4-5-10-20)33(32-24)28(36)30-17-19-7-2-1-3-8-19/h1-3,6-8,11-16,18,20,34H,4-5,9-10,17H2,(H,30,36)(H,31,35)
InChIKeyUZBKHPUGRJEZGE-UHFFFAOYSA-N
MW481.56 g/mol
LogP5.32
Rot. Bonds6

About N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide

N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 154055504) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID154055504
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1cccnc1
InChIInChI=1S/C28H27N5O3/c34-26-15-22(31-27(35)21-11-6-14-29-18-21)12-13-23(26)24-16-25(20-9-4-5-10-20)33(32-24)28(36)30-17-19-7-2-1-3-8-19/h1-3,6-8,11-16,18,20,34H,4-5,9-10,17H2,(H,30,36)(H,31,35)
InChIKeyUZBKHPUGRJEZGE-UHFFFAOYSA-N
XLogP5.32
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 ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055507
N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055470
N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055473
N-[4-[5-cyclopropyl-1-(ethylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055519
N-benzyl-5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055651
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
CID 154055808
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055598
N-[4-[5-cyclopropyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-4-carboxamide
CID 154055483
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
5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055973

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide (CID 154055504) is N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1cccnc1.
What is the InChIKey of N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is UZBKHPUGRJEZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c34-26-15-22(31-27(35)21-11-6-14-29-18-21)12-13-23(26)24-16-25(20-9-4-5-10-20)33(32-24)28(36)30-17-19-7-2-1-3-8-19/h1-3,6-8,11-16,18,20,34H,4-5,9-10,17H2,(H,30,36)(H,31,35).
What are the key properties of N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide?
N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154055504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).