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

C9H10N4OS — CID 43582297

IUPAC3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1nccs1
InChIInChI=1S/C9H10N4OS/c1-5-7(6(2)13-12-5)8(14)11-9-10-3-4-15-9/h3-4H,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyLMJGSDJJQBWGQN-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.74
Rot. Bonds2

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

3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 43582297) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID43582297
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1nccs1
InChIInChI=1S/C9H10N4OS/c1-5-7(6(2)13-12-5)8(14)11-9-10-3-4-15-9/h3-4H,1-2H3,(H,12,13)(H,10,11,14)
InChIKeyLMJGSDJJQBWGQN-UHFFFAOYSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide (CID 43582297) is 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1nccs1.
What is the InChIKey of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is LMJGSDJJQBWGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-7(6(2)13-12-5)8(14)11-9-10-3-4-15-9/h3-4H,1-2H3,(H,12,13)(H,10,11,14).
What are the key properties of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).