4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide

C14H22N4O2S — CID 82942875

IUPAC4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOCCN(C(=O)c1sc2c(c(C)nn2C)c1N)C(C)C
InChIInChI=1S/C14H22N4O2S/c1-8(2)18(6-7-20-5)13(19)12-11(15)10-9(3)16-17(4)14(10)21-12/h8H,6-7,15H2,1-5H3
InChIKeyQSIGWJPLDOCDDW-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.02
Rot. Bonds5

About 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide

4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 82942875) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID82942875
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOCCN(C(=O)c1sc2c(c(C)nn2C)c1N)C(C)C
InChIInChI=1S/C14H22N4O2S/c1-8(2)18(6-7-20-5)13(19)12-11(15)10-9(3)16-17(4)14(10)21-12/h8H,6-7,15H2,1-5H3
InChIKeyQSIGWJPLDOCDDW-UHFFFAOYSA-N
XLogP2.02
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 82942875) is 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide is COCCN(C(=O)c1sc2c(c(C)nn2C)c1N)C(C)C.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QSIGWJPLDOCDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8(2)18(6-7-20-5)13(19)12-11(15)10-9(3)16-17(4)14(10)21-12/h8H,6-7,15H2,1-5H3.
What are the key properties of 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 82942875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).