5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide

C29H25N5O3S — CID 46221820

IUPAC5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3sc(NC(=O)c4ccccc4)nc3C)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C29H25N5O3S/c1-19-26(38-29(30-19)32-27(35)21-11-7-4-8-12-21)25-17-24(33-34(25)18-20-9-5-3-6-10-20)28(36)31-22-13-15-23(37-2)16-14-22/h3-17H,18H2,1-2H3,(H,31,36)(H,30,32,35)
InChIKeyKXZUBSDWJXSGGG-UHFFFAOYSA-N
MW523.62 g/mol
LogP5.88
Rot. Bonds8

About 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide

5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 46221820) has the molecular formula C29H25N5O3S and a molecular weight of 523.62 g/mol. Its IUPAC name is 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID46221820
Molecular FormulaC29H25N5O3S
Molecular Weight523.62 g/mol
Exact Mass523.17
IUPAC Name5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3sc(NC(=O)c4ccccc4)nc3C)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C29H25N5O3S/c1-19-26(38-29(30-19)32-27(35)21-11-7-4-8-12-21)25-17-24(33-34(25)18-20-9-5-3-6-10-20)28(36)31-22-13-15-23(37-2)16-14-22/h3-17H,18H2,1-2H3,(H,31,36)(H,30,32,35)
InChIKeyKXZUBSDWJXSGGG-UHFFFAOYSA-N
XLogP5.88
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.62
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazole scaffold, 13
CID 25218469
1-(4-bromophenyl)-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 46221405
3-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxamide
CID 649180
3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 2201062
4-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2354012
N-(4-Ethylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015330
5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
CID 46221178
1-[(5-chloro-2-methoxyphenyl)methyl]-5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 46888150
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[3-(4-methoxyphenyl)-4-oxophthalazin-1-yl]methylamino]acetamide
CID 137642070
N-(3-((2-((6-Methoxybenzo[d]thiazol-2-yl)amino)-2-oxoethyl)amino)-3-oxo-1-phenylpropyl)benzamide
CID 58965371
2-(3,5-Dimethyl-pyrazol-1-yl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide
CID 650434
N-(3-Acetylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015332

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 46221820) is 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3sc(NC(=O)c4ccccc4)nc3C)n(Cc3ccccc3)n2)cc1.
What is the InChIKey of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is KXZUBSDWJXSGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O3S/c1-19-26(38-29(30-19)32-27(35)21-11-7-4-8-12-21)25-17-24(33-34(25)18-20-9-5-3-6-10-20)28(36)31-22-13-15-23(37-2)16-14-22/h3-17H,18H2,1-2H3,(H,31,36)(H,30,32,35).
What are the key properties of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 523.62 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46221820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).