1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine

C17H24N4S — CID 71915723

IUPAC1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine
SMILESCC1CC(Nc2ccn(CCN(C)C)n2)c2ccccc2S1
InChIInChI=1S/C17H24N4S/c1-13-12-15(14-6-4-5-7-16(14)22-13)18-17-8-9-21(19-17)11-10-20(2)3/h4-9,13,15H,10-12H2,1-3H3,(H,18,19)
InChIKeyZCVGCJCQBKGZHR-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.48
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine

1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine (PubChem CID 71915723) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine
PubChem CID71915723
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine
SMILESCC1CC(Nc2ccn(CCN(C)C)n2)c2ccccc2S1
InChIInChI=1S/C17H24N4S/c1-13-12-15(14-6-4-5-7-16(14)22-13)18-17-8-9-21(19-17)11-10-20(2)3/h4-9,13,15H,10-12H2,1-3H3,(H,18,19)
InChIKeyZCVGCJCQBKGZHR-UHFFFAOYSA-N
XLogP3.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine (CID 71915723) is 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine is CC1CC(Nc2ccn(CCN(C)C)n2)c2ccccc2S1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine?
The InChIKey is ZCVGCJCQBKGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-13-12-15(14-6-4-5-7-16(14)22-13)18-17-8-9-21(19-17)11-10-20(2)3/h4-9,13,15H,10-12H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine?
1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine has a molecular weight of 316.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(2-methyl-3,4-dihydro-2H-thiochromen-4-yl)pyrazol-3-amine is sourced from PubChem (CID 71915723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).