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

C10H12N4OS — CID 61285057

IUPAC3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1nccs1
InChIInChI=1S/C10H12N4OS/c1-6-9(7(2)14-13-6)10(15)12-5-8-11-3-4-16-8/h3-4H,5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXSMMLCIARMZLBJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.41
Rot. Bonds3

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

3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 61285057) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID61285057
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1nccs1
InChIInChI=1S/C10H12N4OS/c1-6-9(7(2)14-13-6)10(15)12-5-8-11-3-4-16-8/h3-4H,5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyXSMMLCIARMZLBJ-UHFFFAOYSA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.41
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-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 61285057) is 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCc1nccs1.
What is the InChIKey of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XSMMLCIARMZLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-9(7(2)14-13-6)10(15)12-5-8-11-3-4-16-8/h3-4H,5H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.41, 3 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-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61285057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).