N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide

C20H16N4OS — CID 2468333

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)s1
InChIInChI=1S/C20H16N4OS/c1-14-13-21-20(26-14)22-19(25)18-12-17(15-8-4-2-5-9-15)23-24(18)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22,25)
InChIKeyTVLHJDYLCIWNPJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.56
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 2468333) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
PubChem CID2468333
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)s1
InChIInChI=1S/C20H16N4OS/c1-14-13-21-20(26-14)22-19(25)18-12-17(15-8-4-2-5-9-15)23-24(18)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22,25)
InChIKeyTVLHJDYLCIWNPJ-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide (CID 2468333) is N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide is Cc1cnc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is TVLHJDYLCIWNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-14-13-21-20(26-14)22-19(25)18-12-17(15-8-4-2-5-9-15)23-24(18)16-10-6-3-7-11-16/h2-13H,1H3,(H,21,22,25).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 2468333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).