N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide

C26H24N4O3S — CID 154055598

IUPACN-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1cccs1
InChIInChI=1S/C26H24N4O3S/c31-23-14-19(28-25(32)24-10-5-13-34-24)11-12-20(23)21-15-22(18-8-4-9-18)30(29-21)26(33)27-16-17-6-2-1-3-7-17/h1-3,5-7,10-15,18,31H,4,8-9,16H2,(H,27,33)(H,28,32)
InChIKeyZRXJJPUYBLUOSF-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.59
Rot. Bonds6

About N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide

N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide (PubChem CID 154055598) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
PubChem CID154055598
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC NameN-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1cccs1
InChIInChI=1S/C26H24N4O3S/c31-23-14-19(28-25(32)24-10-5-13-34-24)11-12-20(23)21-15-22(18-8-4-9-18)30(29-21)26(33)27-16-17-6-2-1-3-7-17/h1-3,5-7,10-15,18,31H,4,8-9,16H2,(H,27,33)(H,28,32)
InChIKeyZRXJJPUYBLUOSF-UHFFFAOYSA-N
XLogP5.59
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055614
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055593
5-cyclobutyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]-N-propylpyrazole-1-carboxamide
CID 154054598
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
CID 154055808
N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055504
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154054604
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154056050
5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056086
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056141
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide (CID 154055598) is N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1)c1cccs1.
What is the InChIKey of N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide?
The InChIKey is ZRXJJPUYBLUOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c31-23-14-19(28-25(32)24-10-5-13-34-24)11-12-20(23)21-15-22(18-8-4-9-18)30(29-21)26(33)27-16-17-6-2-1-3-7-17/h1-3,5-7,10-15,18,31H,4,8-9,16H2,(H,27,33)(H,28,32).
What are the key properties of N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide?
N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 5.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).