3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide

C24H25FN4O3 — CID 154054774

IUPAC3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESCC(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H25FN4O3/c1-15(30)27-19-10-11-23(31)20(12-19)21-13-22(17-4-2-3-5-17)29(28-21)24(32)26-14-16-6-8-18(25)9-7-16/h6-13,17,31H,2-5,14H2,1H3,(H,26,32)(H,27,30)
InChIKeyLTBXFDMPINZKKG-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.77
Rot. Bonds5

About 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide

3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154054774) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
PubChem CID154054774
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESCC(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C24H25FN4O3/c1-15(30)27-19-10-11-23(31)20(12-19)21-13-22(17-4-2-3-5-17)29(28-21)24(32)26-14-16-6-8-18(25)9-7-16/h6-13,17,31H,2-5,14H2,1H3,(H,26,32)(H,27,30)
InChIKeyLTBXFDMPINZKKG-UHFFFAOYSA-N
XLogP4.77
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.77
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

5-cyclopropyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054426
N-[3-[5-cyclopentyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054278
5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054824
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154056129
3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055783
N-[3-[5-cyclopropyl-1-[(4-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide
CID 154054563
N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054277
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide
CID 154054719
5-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide;pyrazole-1-carboxamide
CID 158014744
N-[3-[5-cyclobutyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054461
N-[3-[1-(benzylcarbamoyl)-5-cyclobutylpyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054301

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide (CID 154054774) is 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide is CC(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is LTBXFDMPINZKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-15(30)27-19-10-11-23(31)20(12-19)21-13-22(17-4-2-3-5-17)29(28-21)24(32)26-14-16-6-8-18(25)9-7-16/h6-13,17,31H,2-5,14H2,1H3,(H,26,32)(H,27,30).
What are the key properties of 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).