(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C14H20N4OS — CID 79187193

IUPAC(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCc1nn(C)c2sc(C(=O)N3CC(C)C(C)C3)c(N)c12
InChIInChI=1S/C14H20N4OS/c1-7-5-18(6-8(7)2)13(19)12-11(15)10-9(3)16-17(4)14(10)20-12/h7-8H,5-6,15H2,1-4H3
InChIKeyBTURYHRFTQSSPT-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.25
Rot. Bonds1

About (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79187193) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID79187193
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCc1nn(C)c2sc(C(=O)N3CC(C)C(C)C3)c(N)c12
InChIInChI=1S/C14H20N4OS/c1-7-5-18(6-8(7)2)13(19)12-11(15)10-9(3)16-17(4)14(10)20-12/h7-8H,5-6,15H2,1-4H3
InChIKeyBTURYHRFTQSSPT-UHFFFAOYSA-N
XLogP2.25
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 79187193) is (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is Cc1nn(C)c2sc(C(=O)N3CC(C)C(C)C3)c(N)c12.
What is the InChIKey of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is BTURYHRFTQSSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-7-5-18(6-8(7)2)13(19)12-11(15)10-9(3)16-17(4)14(10)20-12/h7-8H,5-6,15H2,1-4H3.
What are the key properties of (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 292.41 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79187193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).