methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate

C11H10N4O2S — CID 141345472

IUPACmethyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2[nH]nc(-c3cnn(C)c3)c2s1
InChIInChI=1S/C11H10N4O2S/c1-15-5-6(4-12-15)9-10-7(13-14-9)3-8(18-10)11(16)17-2/h3-5H,1-2H3,(H,13,14)
InChIKeyBIWCTURJWQGHGL-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.81
Rot. Bonds2

About methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate

methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate (PubChem CID 141345472) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate
PubChem CID141345472
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Namemethyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc2[nH]nc(-c3cnn(C)c3)c2s1
InChIInChI=1S/C11H10N4O2S/c1-15-5-6(4-12-15)9-10-7(13-14-9)3-8(18-10)11(16)17-2/h3-5H,1-2H3,(H,13,14)
InChIKeyBIWCTURJWQGHGL-UHFFFAOYSA-N
XLogP1.81
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate (CID 141345472) is methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate is COC(=O)c1cc2[nH]nc(-c3cnn(C)c3)c2s1.
What is the InChIKey of methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate?
The InChIKey is BIWCTURJWQGHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-15-5-6(4-12-15)9-10-7(13-14-9)3-8(18-10)11(16)17-2/h3-5H,1-2H3,(H,13,14).
What are the key properties of methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate?
methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate has a molecular weight of 262.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methylpyrazol-4-yl)-1H-thieno[3,2-c]pyrazole-5-carboxylate is sourced from PubChem (CID 141345472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).