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

C8H7ClN4OS — CID 893021

IUPAC4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C8H7ClN4OS/c1-13-4-5(9)6(12-13)7(14)11-8-10-2-3-15-8/h2-4H,1H3,(H,10,11,14)
InChIKeyNTWQMBHXSDMSKW-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.78
Rot. Bonds2

About 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 893021) has the molecular formula C8H7ClN4OS and a molecular weight of 242.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID893021
Molecular FormulaC8H7ClN4OS
Molecular Weight242.69 g/mol
Exact Mass242.00
IUPAC Name4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2nccs2)n1
InChIInChI=1S/C8H7ClN4OS/c1-13-4-5(9)6(12-13)7(14)11-8-10-2-3-15-8/h2-4H,1H3,(H,10,11,14)
InChIKeyNTWQMBHXSDMSKW-UHFFFAOYSA-N
XLogP1.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 893021) is 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2nccs2)n1.
What is the InChIKey of 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is NTWQMBHXSDMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4OS/c1-13-4-5(9)6(12-13)7(14)11-8-10-2-3-15-8/h2-4H,1H3,(H,10,11,14).
What are the key properties of 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 242.69 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 893021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).