N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine

C15H17N3S — CID 65192021

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine
SMILESCc1nn(C)cc1C(C)Nc1ccc2sccc2c1
InChIInChI=1S/C15H17N3S/c1-10(14-9-18(3)17-11(14)2)16-13-4-5-15-12(8-13)6-7-19-15/h4-10,16H,1-3H3
InChIKeyDIOHXPUTGRERKW-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.12
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine (PubChem CID 65192021) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine
PubChem CID65192021
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine
SMILESCc1nn(C)cc1C(C)Nc1ccc2sccc2c1
InChIInChI=1S/C15H17N3S/c1-10(14-9-18(3)17-11(14)2)16-13-4-5-15-12(8-13)6-7-19-15/h4-10,16H,1-3H3
InChIKeyDIOHXPUTGRERKW-UHFFFAOYSA-N
XLogP4.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4,5-trimethylphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687640
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1H-indol-5-amine
CID 65192008
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodoaniline
CID 65192267
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 107678355
2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 65191967
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65191851
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
CID 65192307
methyl 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192423
3-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-nitroaniline
CID 82864957

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine (CID 65192021) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine is Cc1nn(C)cc1C(C)Nc1ccc2sccc2c1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine?
The InChIKey is DIOHXPUTGRERKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10(14-9-18(3)17-11(14)2)16-13-4-5-15-12(8-13)6-7-19-15/h4-10,16H,1-3H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine has a molecular weight of 271.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 65192021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).