(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone

C18H19N3OS — CID 2402707

IUPAC(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC3)cc12
InChIInChI=1S/C18H19N3OS/c1-13-15-11-16(17(22)20-9-5-6-10-20)23-18(15)21(19-13)12-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12H2,1H3
InChIKeyALEZBCJFOAXEAY-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.69
Rot. Bonds3

About (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone

(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 2402707) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID2402707
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC3)cc12
InChIInChI=1S/C18H19N3OS/c1-13-15-11-16(17(22)20-9-5-6-10-20)23-18(15)21(19-13)12-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12H2,1H3
InChIKeyALEZBCJFOAXEAY-UHFFFAOYSA-N
XLogP3.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone (CID 2402707) is (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone is Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCCC3)cc12.
What is the InChIKey of (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is ALEZBCJFOAXEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-15-11-16(17(22)20-9-5-6-10-20)23-18(15)21(19-13)12-14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12H2,1H3.
What are the key properties of (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone?
(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 325.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2402707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).