N-ethylsulfonyl-1H-pyrazole-4-carboxamide

C6H9N3O3S — CID 130877587

IUPACN-ethylsulfonyl-1H-pyrazole-4-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O3S/c1-2-13(11,12)9-6(10)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeySAKNNQDXEQSALB-UHFFFAOYSA-N
MW203.22 g/mol
LogP-0.51
Rot. Bonds3

About N-ethylsulfonyl-1H-pyrazole-4-carboxamide

N-ethylsulfonyl-1H-pyrazole-4-carboxamide (PubChem CID 130877587) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is N-ethylsulfonyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethylsulfonyl-1H-pyrazole-4-carboxamide
PubChem CID130877587
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC NameN-ethylsulfonyl-1H-pyrazole-4-carboxamide
SMILESCCS(=O)(=O)NC(=O)c1cn[nH]c1
InChIInChI=1S/C6H9N3O3S/c1-2-13(11,12)9-6(10)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeySAKNNQDXEQSALB-UHFFFAOYSA-N
XLogP-0.51
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethylsulfonyl-1H-pyrazole-4-carboxamide (CID 130877587) is N-ethylsulfonyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethylsulfonyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethylsulfonyl-1H-pyrazole-4-carboxamide is CCS(=O)(=O)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-ethylsulfonyl-1H-pyrazole-4-carboxamide?
The InChIKey is SAKNNQDXEQSALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-2-13(11,12)9-6(10)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of N-ethylsulfonyl-1H-pyrazole-4-carboxamide?
N-ethylsulfonyl-1H-pyrazole-4-carboxamide has a molecular weight of 203.22 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 130877587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).