N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide

C24H34N4O3 — CID 154054734

IUPACN-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide
SMILESCCC(C)NC(=O)n1nc(-c2cc(NC(=O)CC(C)C)ccc2O)cc1C1CCCC1
InChIInChI=1S/C24H34N4O3/c1-5-16(4)25-24(31)28-21(17-8-6-7-9-17)14-20(27-28)19-13-18(10-11-22(19)29)26-23(30)12-15(2)3/h10-11,13-17,29H,5-9,12H2,1-4H3,(H,25,31)(H,26,30)
InChIKeyDXFDOXMJSNYZRP-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.25
Rot. Bonds7

About N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide

N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide (PubChem CID 154054734) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide
PubChem CID154054734
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide
SMILESCCC(C)NC(=O)n1nc(-c2cc(NC(=O)CC(C)C)ccc2O)cc1C1CCCC1
InChIInChI=1S/C24H34N4O3/c1-5-16(4)25-24(31)28-21(17-8-6-7-9-17)14-20(27-28)19-13-18(10-11-22(19)29)26-23(30)12-15(2)3/h10-11,13-17,29H,5-9,12H2,1-4H3,(H,25,31)(H,26,30)
InChIKeyDXFDOXMJSNYZRP-UHFFFAOYSA-N
XLogP5.25
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.25
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-cyclobutyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154054760
3-(4-acetamido-2-hydroxyphenyl)-N-butan-2-yl-5-cyclobutylpyrazole-1-carboxamide
CID 154055774
5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055712
N-butan-2-yl-5-cyclopropyl-3-[2-hydroxy-5-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154054336
5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055159
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055006
3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide
CID 154055223
5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054399
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054774
5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054824
5-cyclobutyl-N-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054854
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 N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide (CID 154054734) is N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide is CCC(C)NC(=O)n1nc(-c2cc(NC(=O)CC(C)C)ccc2O)cc1C1CCCC1.
What is the InChIKey of N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide?
The InChIKey is DXFDOXMJSNYZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-5-16(4)25-24(31)28-21(17-8-6-7-9-17)14-20(27-28)19-13-18(10-11-22(19)29)26-23(30)12-15(2)3/h10-11,13-17,29H,5-9,12H2,1-4H3,(H,25,31)(H,26,30).
What are the key properties of N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide?
N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 5.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).