N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine

C16H25N3S — CID 65243749

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
SMILESCCn1nc(C)c(C(C)NCc2cc(C)c(C)s2)c1C
InChIInChI=1S/C16H25N3S/c1-7-19-13(5)16(12(4)18-19)11(3)17-9-15-8-10(2)14(6)20-15/h8,11,17H,7,9H2,1-6H3
InChIKeyLWZSSVDZRDXLQA-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.05
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 65243749) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID65243749
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
SMILESCCn1nc(C)c(C(C)NCc2cc(C)c(C)s2)c1C
InChIInChI=1S/C16H25N3S/c1-7-19-13(5)16(12(4)18-19)11(3)17-9-15-8-10(2)14(6)20-15/h8,11,17H,7,9H2,1-6H3
InChIKeyLWZSSVDZRDXLQA-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)ethanamine
CID 115711474
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613006
[4-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 107230009
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712818
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 63980803
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79083525
1-(3,4-dichlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65246502
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 113348764
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
3-ethyl-1-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783078
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778780

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine (CID 65243749) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine is CCn1nc(C)c(C(C)NCc2cc(C)c(C)s2)c1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is LWZSSVDZRDXLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-7-19-13(5)16(12(4)18-19)11(3)17-9-15-8-10(2)14(6)20-15/h8,11,17H,7,9H2,1-6H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 291.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65243749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).