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

C9H10N4OS — CID 649902

IUPAC2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1nccs1
InChIInChI=1S/C9H10N4OS/c1-2-13-7(3-4-11-13)8(14)12-9-10-5-6-15-9/h3-6H,2H2,1H3,(H,10,12,14)
InChIKeyLHQJWKNRHQBZDG-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.61
Rot. Bonds3

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

2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 649902) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID649902
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1nccs1
InChIInChI=1S/C9H10N4OS/c1-2-13-7(3-4-11-13)8(14)12-9-10-5-6-15-9/h3-6H,2H2,1H3,(H,10,12,14)
InChIKeyLHQJWKNRHQBZDG-UHFFFAOYSA-N
XLogP1.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 649902) is 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is LHQJWKNRHQBZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-2-13-7(3-4-11-13)8(14)12-9-10-5-6-15-9/h3-6H,2H2,1H3,(H,10,12,14).
What are the key properties of 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 649902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).