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

C9H10N4OS — CID 16952207

IUPAC1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nccs2)nn1C
InChIInChI=1S/C9H10N4OS/c1-6-5-7(12-13(6)2)8(14)11-9-10-3-4-15-9/h3-5H,1-2H3,(H,10,11,14)
InChIKeyXAJKBVQYSAUIEC-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.44
Rot. Bonds2

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

1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 16952207) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID16952207
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nccs2)nn1C
InChIInChI=1S/C9H10N4OS/c1-6-5-7(12-13(6)2)8(14)11-9-10-3-4-15-9/h3-5H,1-2H3,(H,10,11,14)
InChIKeyXAJKBVQYSAUIEC-UHFFFAOYSA-N
XLogP1.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 16952207) is 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nccs2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is XAJKBVQYSAUIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-5-7(12-13(6)2)8(14)11-9-10-3-4-15-9/h3-5H,1-2H3,(H,10,11,14).
What are the key properties of 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 16952207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).