5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole

C11H15N3S — CID 164751754

IUPAC5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole
SMILESCC1CCC(c2cc3[nH]ncc3s2)NC1
InChIInChI=1S/C11H15N3S/c1-7-2-3-8(12-5-7)10-4-9-11(15-10)6-13-14-9/h4,6-8,12H,2-3,5H2,1H3,(H,13,14)
InChIKeyUMTNBPKSVIEFEF-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.68
Rot. Bonds1

About 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole

5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole (PubChem CID 164751754) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole.

Molecular Properties

Compound Name5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole
PubChem CID164751754
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole
SMILESCC1CCC(c2cc3[nH]ncc3s2)NC1
InChIInChI=1S/C11H15N3S/c1-7-2-3-8(12-5-7)10-4-9-11(15-10)6-13-14-9/h4,6-8,12H,2-3,5H2,1H3,(H,13,14)
InChIKeyUMTNBPKSVIEFEF-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole?
The IUPAC name of 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole (CID 164751754) is 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole.
What is the SMILES notation for 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole?
The canonical SMILES for 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole is CC1CCC(c2cc3[nH]ncc3s2)NC1.
What is the InChIKey of 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole?
The InChIKey is UMTNBPKSVIEFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7-2-3-8(12-5-7)10-4-9-11(15-10)6-13-14-9/h4,6-8,12H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole?
5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole has a molecular weight of 221.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylpiperidin-2-yl)-1H-thieno[2,3-d]pyrazole is sourced from PubChem (CID 164751754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).