methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate

C7H7N3O2S — CID 44558323

IUPACmethyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2[nH]nc(N)c2s1
InChIInChI=1S/C7H7N3O2S/c1-12-7(11)4-2-3-5(13-4)6(8)10-9-3/h2H,1H3,(H3,8,9,10)
InChIKeyBZTKCTZKSHFJDY-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.99
Rot. Bonds1

About methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate

methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate (PubChem CID 44558323) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate
PubChem CID44558323
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Namemethyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2[nH]nc(N)c2s1
InChIInChI=1S/C7H7N3O2S/c1-12-7(11)4-2-3-5(13-4)6(8)10-9-3/h2H,1H3,(H3,8,9,10)
InChIKeyBZTKCTZKSHFJDY-UHFFFAOYSA-N
XLogP0.99
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate?
The IUPAC name of methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate (CID 44558323) is methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate is COC(=O)c1cc2[nH]nc(N)c2s1.
What is the InChIKey of methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate?
The InChIKey is BZTKCTZKSHFJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-12-7(11)4-2-3-5(13-4)6(8)10-9-3/h2H,1H3,(H3,8,9,10).
What are the key properties of methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate?
methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate has a molecular weight of 197.22 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate is sourced from PubChem (CID 44558323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).