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

C11H13N5O2S2 — CID 61105762

IUPAC3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1
InChIInChI=1S/C11H13N5O2S2/c1-2-4-16-7-9(10(13)14-16)20(17,18)15-11-8(6-12)3-5-19-11/h3,5,7,15H,2,4H2,1H3,(H2,13,14)
InChIKeyPGGZIDAUTYZCBO-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.61
Rot. Bonds5

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

3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide (PubChem CID 61105762) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide
PubChem CID61105762
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC Name3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1
InChIInChI=1S/C11H13N5O2S2/c1-2-4-16-7-9(10(13)14-16)20(17,18)15-11-8(6-12)3-5-19-11/h3,5,7,15H,2,4H2,1H3,(H2,13,14)
InChIKeyPGGZIDAUTYZCBO-UHFFFAOYSA-N
XLogP1.61
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.61
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-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide (CID 61105762) is 3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2sccc2C#N)c(N)n1.
What is the InChIKey of 3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is PGGZIDAUTYZCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c1-2-4-16-7-9(10(13)14-16)20(17,18)15-11-8(6-12)3-5-19-11/h3,5,7,15H,2,4H2,1H3,(H2,13,14).
What are the key properties of 3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(3-cyanothiophen-2-yl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 311.39 g/mol, XLogP of 1.61, 5 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-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 61105762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).