5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide

C28H34N4O3 — CID 154055417

IUPAC5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1
InChIInChI=1S/C28H34N4O3/c1-3-20(4-2)27(34)30-22-13-14-23(26(33)17-22)24-18-25(21-11-8-12-21)32(31-24)28(35)29-16-15-19-9-6-5-7-10-19/h5-7,9-10,13-14,17-18,20-21,33H,3-4,8,11-12,15-16H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyTZVKFVHFCXXCTO-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.70
Rot. Bonds9

About 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide

5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide (PubChem CID 154055417) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
PubChem CID154055417
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1
InChIInChI=1S/C28H34N4O3/c1-3-20(4-2)27(34)30-22-13-14-23(26(33)17-22)24-18-25(21-11-8-12-21)32(31-24)28(35)29-16-15-19-9-6-5-7-10-19/h5-7,9-10,13-14,17-18,20-21,33H,3-4,8,11-12,15-16H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyTZVKFVHFCXXCTO-UHFFFAOYSA-N
XLogP5.70
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055737
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055634
5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054399
5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055614
5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055130
3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055404
5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055654
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
5-cyclopropyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054426
N-benzyl-5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055651
3-(4-acetamido-2-hydroxyphenyl)-N-butan-2-yl-5-cyclobutylpyrazole-1-carboxamide
CID 154055774

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide (CID 154055417) is 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide is CCC(CC)C(=O)Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1.
What is the InChIKey of 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The InChIKey is TZVKFVHFCXXCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-3-20(4-2)27(34)30-22-13-14-23(26(33)17-22)24-18-25(21-11-8-12-21)32(31-24)28(35)29-16-15-19-9-6-5-7-10-19/h5-7,9-10,13-14,17-18,20-21,33H,3-4,8,11-12,15-16H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 5.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 154055417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).