[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine

C15H19N3S — CID 79227333

IUPAC[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(CC2Cc3ccccc3S2)c(C)c1CN
InChIInChI=1S/C15H19N3S/c1-10-14(8-16)11(2)18(17-10)9-13-7-12-5-3-4-6-15(12)19-13/h3-6,13H,7-9,16H2,1-2H3
InChIKeyFNWDBGWHOPNKBG-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.68
Rot. Bonds3

About [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine

[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 79227333) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID79227333
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(CC2Cc3ccccc3S2)c(C)c1CN
InChIInChI=1S/C15H19N3S/c1-10-14(8-16)11(2)18(17-10)9-13-7-12-5-3-4-6-15(12)19-13/h3-6,13H,7-9,16H2,1-2H3
InChIKeyFNWDBGWHOPNKBG-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 79227384
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethyl-1,2,4-triazole
CID 79349818
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]methanamine
CID 79224217
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpyrazole
CID 79223895
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-ethyltriazol-4-amine
CID 79542830
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-amine
CID 79222952
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805298
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 83159637
5-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 79228569
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylpiperidin-2-yl]methanamine
CID 79228637
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
CID 79223158
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-2-yl]methanamine
CID 79222902

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine (CID 79227333) is [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine is Cc1nn(CC2Cc3ccccc3S2)c(C)c1CN.
What is the InChIKey of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is FNWDBGWHOPNKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-14(8-16)11(2)18(17-10)9-13-7-12-5-3-4-6-15(12)19-13/h3-6,13H,7-9,16H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine?
[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine has a molecular weight of 273.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 79227333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).