1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide

C12H13N3OS — CID 831736

IUPAC1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C12H13N3OS/c1-15-8-9(7-13-15)12(16)14-10-5-3-4-6-11(10)17-2/h3-8H,1-2H3,(H,14,16)
InChIKeyARDRTPJODSXMEE-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.39
Rot. Bonds3

About 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide

1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide (PubChem CID 831736) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
PubChem CID831736
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C12H13N3OS/c1-15-8-9(7-13-15)12(16)14-10-5-3-4-6-11(10)17-2/h3-8H,1-2H3,(H,14,16)
InChIKeyARDRTPJODSXMEE-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide (CID 831736) is 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide is CSc1ccccc1NC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide?
The InChIKey is ARDRTPJODSXMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15-8-9(7-13-15)12(16)14-10-5-3-4-6-11(10)17-2/h3-8H,1-2H3,(H,14,16).
What are the key properties of 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide?
1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 831736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).