5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine

C12H11N3OS — CID 115109988

IUPAC5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc2sc(-c3cc(N)n[nH]3)cc2c1
InChIInChI=1S/C12H11N3OS/c1-16-8-2-3-10-7(4-8)5-11(17-10)9-6-12(13)15-14-9/h2-6H,1H3,(H3,13,14,15)
InChIKeyFQVOIUSLBFDZOZ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.88
Rot. Bonds2

About 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine

5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 115109988) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID115109988
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc2sc(-c3cc(N)n[nH]3)cc2c1
InChIInChI=1S/C12H11N3OS/c1-16-8-2-3-10-7(4-8)5-11(17-10)9-6-12(13)15-14-9/h2-6H,1H3,(H3,13,14,15)
InChIKeyFQVOIUSLBFDZOZ-UHFFFAOYSA-N
XLogP2.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
2-(1-benzothiophen-2-yl)-5-methoxyaniline
CID 24827981
2,5-dimethoxy-1-benzothiophene
CID 69101358
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002
5-(3-methoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 118614697
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
(5-methoxy-1-benzothiophen-2-yl)methanamine
CID 82605307
5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene
CID 170556365
5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine
CID 57428877
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742295
4-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 66767985

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine (CID 115109988) is 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine is COc1ccc2sc(-c3cc(N)n[nH]3)cc2c1.
What is the InChIKey of 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is FQVOIUSLBFDZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-16-8-2-3-10-7(4-8)5-11(17-10)9-6-12(13)15-14-9/h2-6H,1H3,(H3,13,14,15).
What are the key properties of 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine?
5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 245.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115109988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).