4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide

C8H14N4O3S — CID 62082279

IUPAC4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCS(C)(=O)=O)c1N
InChIInChI=1S/C8H14N4O3S/c1-5-6(9)7(12-11-5)8(13)10-3-4-16(2,14)15/h3-4,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyITDYZOJDXHNAKU-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.93
Rot. Bonds4

About 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62082279) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
PubChem CID62082279
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCS(C)(=O)=O)c1N
InChIInChI=1S/C8H14N4O3S/c1-5-6(9)7(12-11-5)8(13)10-3-4-16(2,14)15/h3-4,9H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyITDYZOJDXHNAKU-UHFFFAOYSA-N
XLogP-0.93
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
5-methyl-3-(2-methylsulfonylethylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 65370769
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034477
4-amino-5-methyl-N-(4-methylpentyl)-1H-pyrazole-3-carboxamide
CID 62083375
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034138
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
5-ethyl-N-(2-methylsulfonylethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386269
4-amino-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 65103807
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786
3-amino-N-(2-methylsulfonylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807194

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide (CID 62082279) is 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCS(C)(=O)=O)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ITDYZOJDXHNAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-5-6(9)7(12-11-5)8(13)10-3-4-16(2,14)15/h3-4,9H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 246.29 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).