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

C7H12N4O3S — CID 64523250

IUPAC3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C7H12N4O3S/c1-15(13,14)3-2-9-7(12)5-4-6(8)11-10-5/h4H,2-3H2,1H3,(H,9,12)(H3,8,10,11)
InChIKeyVPSIBRFHLNZOQQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.23
Rot. Bonds4

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

3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523250) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide
PubChem CID64523250
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC Name3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C7H12N4O3S/c1-15(13,14)3-2-9-7(12)5-4-6(8)11-10-5/h4H,2-3H2,1H3,(H,9,12)(H3,8,10,11)
InChIKeyVPSIBRFHLNZOQQ-UHFFFAOYSA-N
XLogP-1.23
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide (CID 64523250) is 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide is CS(=O)(=O)CCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VPSIBRFHLNZOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-15(13,14)3-2-9-7(12)5-4-6(8)11-10-5/h4H,2-3H2,1H3,(H,9,12)(H3,8,10,11).
What are the key properties of 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 232.26 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfonylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).