4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

C10H11BrN4OS — CID 35522352

IUPAC4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2nn(C)c(C)c2Br)s1
InChIInChI=1S/C10H11BrN4OS/c1-5-4-12-10(17-5)13-9(16)8-7(11)6(2)15(3)14-8/h4H,1-3H3,(H,12,13,16)
InChIKeyAGRFVPADJQLUQA-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.51
Rot. Bonds2

About 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 35522352) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID35522352
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2nn(C)c(C)c2Br)s1
InChIInChI=1S/C10H11BrN4OS/c1-5-4-12-10(17-5)13-9(16)8-7(11)6(2)15(3)14-8/h4H,1-3H3,(H,12,13,16)
InChIKeyAGRFVPADJQLUQA-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 35522352) is 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cc1cnc(NC(=O)c2nn(C)c(C)c2Br)s1.
What is the InChIKey of 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is AGRFVPADJQLUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c1-5-4-12-10(17-5)13-9(16)8-7(11)6(2)15(3)14-8/h4H,1-3H3,(H,12,13,16).
What are the key properties of 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 35522352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).