4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C14H18N4OS — CID 106215559

IUPAC4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESC#CCCCCNC(=O)c1sc2c(c(C)nn2C)c1N
InChIInChI=1S/C14H18N4OS/c1-4-5-6-7-8-16-13(19)12-11(15)10-9(2)17-18(3)14(10)20-12/h1H,5-8,15H2,2-3H3,(H,16,19)
InChIKeyOKDDWQKZCDZILO-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.06
Rot. Bonds5

About 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 106215559) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID106215559
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESC#CCCCCNC(=O)c1sc2c(c(C)nn2C)c1N
InChIInChI=1S/C14H18N4OS/c1-4-5-6-7-8-16-13(19)12-11(15)10-9(2)17-18(3)14(10)20-12/h1H,5-8,15H2,2-3H3,(H,16,19)
InChIKeyOKDDWQKZCDZILO-UHFFFAOYSA-N
XLogP2.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 106215559) is 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is C#CCCCCNC(=O)c1sc2c(c(C)nn2C)c1N.
What is the InChIKey of 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is OKDDWQKZCDZILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-5-6-7-8-16-13(19)12-11(15)10-9(2)17-18(3)14(10)20-12/h1H,5-8,15H2,2-3H3,(H,16,19).
What are the key properties of 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hex-5-ynyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 106215559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).