5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide

C29H36N4O3 — CID 154054399

IUPAC5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
SMILESCCC(CC)C(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3C)n2)c1
InChIInChI=1S/C29H36N4O3/c1-4-20(5-2)28(35)31-23-14-15-27(34)24(16-23)25-17-26(21-11-8-9-12-21)33(32-25)29(36)30-18-22-13-7-6-10-19(22)3/h6-7,10,13-17,20-21,34H,4-5,8-9,11-12,18H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyFGUGHQIKHGCOLC-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.35
Rot. Bonds8

About 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide

5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154054399) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
PubChem CID154054399
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
SMILESCCC(CC)C(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3C)n2)c1
InChIInChI=1S/C29H36N4O3/c1-4-20(5-2)28(35)31-23-14-15-27(34)24(16-23)25-17-26(21-11-8-9-12-21)33(32-25)29(36)30-18-22-13-7-6-10-19(22)3/h6-7,10,13-17,20-21,34H,4-5,8-9,11-12,18H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyFGUGHQIKHGCOLC-UHFFFAOYSA-N
XLogP6.35
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.35
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-[3-[5-cyclobutyl-1-[(2-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]pyridine-4-carboxamide
CID 154054469
5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054244
5-cyclopropyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054426
3-[5-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054393
5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055417
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
CID 154055808
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054273
5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056086
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
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 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154054399) is 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide is CCC(CC)C(=O)Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3C)n2)c1.
What is the InChIKey of 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is FGUGHQIKHGCOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-4-20(5-2)28(35)31-23-14-15-27(34)24(16-23)25-17-26(21-11-8-9-12-21)33(32-25)29(36)30-18-22-13-7-6-10-19(22)3/h6-7,10,13-17,20-21,34H,4-5,8-9,11-12,18H2,1-3H3,(H,30,36)(H,31,35).
What are the key properties of 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide?
5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 6.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).