4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide

C14H22N4O2S — CID 81063841

IUPAC4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(C)CCOC(C)C)c(N)c12
InChIInChI=1S/C14H22N4O2S/c1-8(2)20-7-6-17(4)13(19)12-11(15)10-9(3)16-18(5)14(10)21-12/h8H,6-7,15H2,1-5H3
InChIKeyHWTINCBYMDKBDY-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.02
Rot. Bonds5

About 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide

4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 81063841) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID81063841
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(C)CCOC(C)C)c(N)c12
InChIInChI=1S/C14H22N4O2S/c1-8(2)20-7-6-17(4)13(19)12-11(15)10-9(3)16-18(5)14(10)21-12/h8H,6-7,15H2,1-5H3
InChIKeyHWTINCBYMDKBDY-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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 81063841) is 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)N(C)CCOC(C)C)c(N)c12.
What is the InChIKey of 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is HWTINCBYMDKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8(2)20-7-6-17(4)13(19)12-11(15)10-9(3)16-18(5)14(10)21-12/h8H,6-7,15H2,1-5H3.
What are the key properties of 4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide?
4-amino-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[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,1,3-trimethyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 81063841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).