1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

C8H9N5OS — CID 31265369

IUPAC1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C8H9N5OS/c1-5-11-12-8(15-5)10-7(14)6-3-9-13(2)4-6/h3-4H,1-2H3,(H,10,12,14)
InChIKeyKBQXJGWSLQRBJE-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.83
Rot. Bonds2

About 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 31265369) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID31265369
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C8H9N5OS/c1-5-11-12-8(15-5)10-7(14)6-3-9-13(2)4-6/h3-4H,1-2H3,(H,10,12,14)
InChIKeyKBQXJGWSLQRBJE-UHFFFAOYSA-N
XLogP0.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (CID 31265369) is 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is Cc1nnc(NC(=O)c2cnn(C)c2)s1.
What is the InChIKey of 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is KBQXJGWSLQRBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-11-12-8(15-5)10-7(14)6-3-9-13(2)4-6/h3-4H,1-2H3,(H,10,12,14).
What are the key properties of 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 31265369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).