1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine

C12H15N3S — CID 62841267

IUPAC1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
SMILESCn1ccc(NC2CCCc3sccc32)n1
InChIInChI=1S/C12H15N3S/c1-15-7-5-12(14-15)13-10-3-2-4-11-9(10)6-8-16-11/h5-8,10H,2-4H2,1H3,(H,13,14)
InChIKeyXAYNULXSQNOIHE-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.97
Rot. Bonds2

About 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine

1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine (PubChem CID 62841267) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
PubChem CID62841267
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
SMILESCn1ccc(NC2CCCc3sccc32)n1
InChIInChI=1S/C12H15N3S/c1-15-7-5-12(14-15)13-10-3-2-4-11-9(10)6-8-16-11/h5-8,10H,2-4H2,1H3,(H,13,14)
InChIKeyXAYNULXSQNOIHE-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-dimethyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 64830473
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385590
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80825322
6-hydrazinyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80919316
N-methyl-1-(1-methylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 103134698
6-hydrazinyl-2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 80918851
(1-methylpyrazol-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 103133709
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 65197527
2-ethyl-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)-1H-pyrimidin-6-one
CID 136975495
6-ethoxy-2-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-2,5-diamine
CID 62840803
4-methyl-1-propyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazol-2-amine
CID 106570720
6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyrazine-2-carboxylic acid
CID 66449925

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine (CID 62841267) is 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine is Cn1ccc(NC2CCCc3sccc32)n1.
What is the InChIKey of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine?
The InChIKey is XAYNULXSQNOIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-15-7-5-12(14-15)13-10-3-2-4-11-9(10)6-8-16-11/h5-8,10H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine?
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine has a molecular weight of 233.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine is sourced from PubChem (CID 62841267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).