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

C8H8N4OS — CID 903234

IUPAC2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4OS/c1-12-6(2-3-10-12)7(13)11-8-9-4-5-14-8/h2-5H,1H3,(H,9,11,13)
InChIKeyIARQNNBEFJWNBP-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.13
Rot. Bonds2

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

2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 903234) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID903234
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4OS/c1-12-6(2-3-10-12)7(13)11-8-9-4-5-14-8/h2-5H,1H3,(H,9,11,13)
InChIKeyIARQNNBEFJWNBP-UHFFFAOYSA-N
XLogP1.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 903234) is 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is IARQNNBEFJWNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-12-6(2-3-10-12)7(13)11-8-9-4-5-14-8/h2-5H,1H3,(H,9,11,13).
What are the key properties of 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 903234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).