1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine

C13H13N3S — CID 115109869

IUPAC1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine
SMILESCc1ccc2cc(-c3cc(N)nn3C)sc2c1
InChIInChI=1S/C13H13N3S/c1-8-3-4-9-6-12(17-11(9)5-8)10-7-13(14)15-16(10)2/h3-7H,1-2H3,(H2,14,15)
InChIKeyOBVWUFVVVQGZMP-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.19
Rot. Bonds1

About 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine

1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine (PubChem CID 115109869) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine
PubChem CID115109869
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine
SMILESCc1ccc2cc(-c3cc(N)nn3C)sc2c1
InChIInChI=1S/C13H13N3S/c1-8-3-4-9-6-12(17-11(9)5-8)10-7-13(14)15-16(10)2/h3-7H,1-2H3,(H2,14,15)
InChIKeyOBVWUFVVVQGZMP-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(4-methyl-1-benzothiophen-2-yl)pyrazol-3-amine
CID 115110015
5-(6-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113658
6-methyl-2-(2-methylphenyl)-1-benzothiophene
CID 142624987
5-(1-benzothiophen-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115109785
1-methyl-5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyrazol-4-amine
CID 115109543
2-(4-bromonaphthalen-1-yl)-6-methyl-1-benzothiophene
CID 165345944
5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82470102
6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene
CID 117185899
5-(5-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113685
5-(5-chloro-1-benzothiophen-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115109973
5-(4-methylphenyl)-1-propylpyrazol-3-amine
CID 67610637
6-methyl-1-benzothiophene-2-carboxylic acid
CID 12813850

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine?
The IUPAC name of 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine (CID 115109869) is 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine is Cc1ccc2cc(-c3cc(N)nn3C)sc2c1.
What is the InChIKey of 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine?
The InChIKey is OBVWUFVVVQGZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-8-3-4-9-6-12(17-11(9)5-8)10-7-13(14)15-16(10)2/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine?
1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine has a molecular weight of 243.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine is sourced from PubChem (CID 115109869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).