1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide

C12H18N4OS — CID 50954966

IUPAC1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCC(C)SCCNC(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C12H18N4OS/c1-9(2)18-7-4-13-11(17)10-8-14-16-6-5-15(3)12(10)16/h5-6,8-9H,4,7H2,1-3H3,(H,13,17)
InChIKeyDLQUNPXIOPRDRR-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.54
Rot. Bonds5

About 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide

1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50954966) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50954966
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide
SMILESCC(C)SCCNC(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C12H18N4OS/c1-9(2)18-7-4-13-11(17)10-8-14-16-6-5-15(3)12(10)16/h5-6,8-9H,4,7H2,1-3H3,(H,13,17)
InChIKeyDLQUNPXIOPRDRR-UHFFFAOYSA-N
XLogP1.54
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide (CID 50954966) is 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide is CC(C)SCCNC(=O)c1cnn2ccn(C)c12.
What is the InChIKey of 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is DLQUNPXIOPRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-9(2)18-7-4-13-11(17)10-8-14-16-6-5-15(3)12(10)16/h5-6,8-9H,4,7H2,1-3H3,(H,13,17).
What are the key properties of 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide?
1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propan-2-ylsulfanylethyl)imidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50954966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).