3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide

C30H26N4O3S — CID 154055404

IUPAC3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1)c1cc2ccccc2s1
InChIInChI=1S/C30H26N4O3S/c35-26-17-22(32-29(36)28-16-21-8-4-5-9-27(21)38-28)12-13-23(26)24-18-25(20-10-11-20)34(33-24)30(37)31-15-14-19-6-2-1-3-7-19/h1-9,12-13,16-18,20,35H,10-11,14-15H2,(H,31,37)(H,32,36)
InChIKeyZIXQLUWBMVQJPB-UHFFFAOYSA-N
MW522.63 g/mol
LogP6.40
Rot. Bonds7

About 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide

3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide (PubChem CID 154055404) has the molecular formula C30H26N4O3S and a molecular weight of 522.63 g/mol. Its IUPAC name is 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide
PubChem CID154055404
Molecular FormulaC30H26N4O3S
Molecular Weight522.63 g/mol
Exact Mass522.17
IUPAC Name3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1)c1cc2ccccc2s1
InChIInChI=1S/C30H26N4O3S/c35-26-17-22(32-29(36)28-16-21-8-4-5-9-27(21)38-28)12-13-23(26)24-18-25(20-10-11-20)34(33-24)30(37)31-15-14-19-6-2-1-3-7-19/h1-9,12-13,16-18,20,35H,10-11,14-15H2,(H,31,37)(H,32,36)
InChIKeyZIXQLUWBMVQJPB-UHFFFAOYSA-N
XLogP6.40
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055614
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-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055417
3-[5-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054393
5-cyclobutyl-3-[2-hydroxy-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055324
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055598
5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055130
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055593
5-cyclopropyl-N-ethyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 136636114

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide?
The IUPAC name of 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide (CID 154055404) is 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1)c1cc2ccccc2s1.
What is the InChIKey of 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide?
The InChIKey is ZIXQLUWBMVQJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3S/c35-26-17-22(32-29(36)28-16-21-8-4-5-9-27(21)38-28)12-13-23(26)24-18-25(20-10-11-20)34(33-24)30(37)31-15-14-19-6-2-1-3-7-19/h1-9,12-13,16-18,20,35H,10-11,14-15H2,(H,31,37)(H,32,36).
What are the key properties of 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide?
3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide has a molecular weight of 522.63 g/mol, XLogP of 6.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 154055404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).