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

C24H23N5O4S — CID 46222032

IUPAC5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3sc(NC(=O)c4ccccc4)nc3C)n(CCO)n2)cc1
InChIInChI=1S/C24H23N5O4S/c1-15-21(34-24(25-15)27-22(31)16-6-4-3-5-7-16)20-14-19(28-29(20)12-13-30)23(32)26-17-8-10-18(33-2)11-9-17/h3-11,14,30H,12-13H2,1-2H3,(H,26,32)(H,25,27,31)
InChIKeyRDCLITCFQKOHSC-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.82
Rot. Bonds8

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

5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 46222032) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID46222032
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3sc(NC(=O)c4ccccc4)nc3C)n(CCO)n2)cc1
InChIInChI=1S/C24H23N5O4S/c1-15-21(34-24(25-15)27-22(31)16-6-4-3-5-7-16)20-14-19(28-29(20)12-13-30)23(32)26-17-8-10-18(33-2)11-9-17/h3-11,14,30H,12-13H2,1-2H3,(H,26,32)(H,25,27,31)
InChIKeyRDCLITCFQKOHSC-UHFFFAOYSA-N
XLogP3.82
TPSA118.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrazole scaffold, 13
CID 25218469
N-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-5-(morpholine-4-carbonyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 46871622
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
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-[5-[1-[(5-chloro-2-methoxyphenyl)methyl]-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 46888193
N-(3-Acetylphenyl)-2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-YL}-4-methyl-1,3-thiazole-5-carboxamide
CID 16015332
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enylpyrazole-3-carboxylate
CID 46220735
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzylpyrazole-3-carboxylate
CID 46220737
Ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 46220738
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-N-(4-methoxyphenyl)-1-prop-2-enylpyrazole-3-carboxamide
CID 46221818

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 46222032) is 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3sc(NC(=O)c4ccccc4)nc3C)n(CCO)n2)cc1.
What is the InChIKey of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is RDCLITCFQKOHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-15-21(34-24(25-15)27-22(31)16-6-4-3-5-7-16)20-14-19(28-29(20)12-13-30)23(32)26-17-8-10-18(33-2)11-9-17/h3-11,14,30H,12-13H2,1-2H3,(H,26,32)(H,25,27,31).
What are the key properties of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide?
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-(2-hydroxyethyl)-N-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46222032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).