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

C24H23N5O3S — CID 53382956

IUPAC5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCCO)nn1Cc1ccccc1
InChIInChI=1S/C24H23N5O3S/c1-16-21(33-24(26-16)27-22(31)18-10-6-3-7-11-18)20-14-19(23(32)25-12-13-30)28-29(20)15-17-8-4-2-5-9-17/h2-11,14,30H,12-13,15H2,1H3,(H,25,32)(H,26,27,31)
InChIKeyHEVBSNYGIKZFAA-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.34
Rot. Bonds8

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

5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 53382956) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID53382956
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCCO)nn1Cc1ccccc1
InChIInChI=1S/C24H23N5O3S/c1-16-21(33-24(26-16)27-22(31)18-10-6-3-7-11-18)20-14-19(23(32)25-12-13-30)28-29(20)15-17-8-4-2-5-9-17/h2-11,14,30H,12-13,15H2,1H3,(H,25,32)(H,26,27,31)
InChIKeyHEVBSNYGIKZFAA-UHFFFAOYSA-N
XLogP3.34
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 53382956) is 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide is Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)NCCO)nn1Cc1ccccc1.
What is the InChIKey of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is HEVBSNYGIKZFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16-21(33-24(26-16)27-22(31)18-10-6-3-7-11-18)20-14-19(23(32)25-12-13-30)28-29(20)15-17-8-4-2-5-9-17/h2-11,14,30H,12-13,15H2,1H3,(H,25,32)(H,26,27,31).
What are the key properties of 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-benzyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 461.55 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 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-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 53382956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).