3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide

C10H11N5O2S2 — CID 61105572

IUPAC3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1
InChIInChI=1S/C10H11N5O2S2/c1-2-15-6-8(9(12)13-15)19(16,17)14-10-7(5-11)3-4-18-10/h3-4,6,14H,2H2,1H3,(H2,12,13)
InChIKeyUVADLTZCOMBILV-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.22
Rot. Bonds4

About 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide

3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 61105572) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide
PubChem CID61105572
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC Name3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1
InChIInChI=1S/C10H11N5O2S2/c1-2-15-6-8(9(12)13-15)19(16,17)14-10-7(5-11)3-4-18-10/h3-4,6,14H,2H2,1H3,(H2,12,13)
InChIKeyUVADLTZCOMBILV-UHFFFAOYSA-N
XLogP1.22
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide (CID 61105572) is 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1.
What is the InChIKey of 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is UVADLTZCOMBILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-2-15-6-8(9(12)13-15)19(16,17)14-10-7(5-11)3-4-18-10/h3-4,6,14H,2H2,1H3,(H2,12,13).
What are the key properties of 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide?
3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 297.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanothiophen-2-yl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 61105572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).