3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid

C14H14N4O2S — CID 81041131

IUPAC3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCC(C)Cc1nn(-c2cnccn2)c2sc(C(=O)O)cc12
InChIInChI=1S/C14H14N4O2S/c1-8(2)5-10-9-6-11(14(19)20)21-13(9)18(17-10)12-7-15-3-4-16-12/h3-4,6-8H,5H2,1-2H3,(H,19,20)
InChIKeyUOCMPAANDSSYCI-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.77
Rot. Bonds4

About 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid

3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid (PubChem CID 81041131) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
PubChem CID81041131
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid
SMILESCC(C)Cc1nn(-c2cnccn2)c2sc(C(=O)O)cc12
InChIInChI=1S/C14H14N4O2S/c1-8(2)5-10-9-6-11(14(19)20)21-13(9)18(17-10)12-7-15-3-4-16-12/h3-4,6-8H,5H2,1-2H3,(H,19,20)
InChIKeyUOCMPAANDSSYCI-UHFFFAOYSA-N
XLogP2.77
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid (CID 81041131) is 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid is CC(C)Cc1nn(-c2cnccn2)c2sc(C(=O)O)cc12.
What is the InChIKey of 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid?
The InChIKey is UOCMPAANDSSYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8(2)5-10-9-6-11(14(19)20)21-13(9)18(17-10)12-7-15-3-4-16-12/h3-4,6-8H,5H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid?
3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-pyrazin-2-ylthieno[2,3-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 81041131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).