1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine

C14H22N4OS — CID 114649419

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(N)Cc1cccs1
InChIInChI=1S/C14H22N4OS/c1-17(2)6-7-18-14(13(19-3)10-16-18)12(15)9-11-5-4-8-20-11/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeyINCUHFKUYXPPMS-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.76
Rot. Bonds7

About 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine (PubChem CID 114649419) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine
PubChem CID114649419
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(N)Cc1cccs1
InChIInChI=1S/C14H22N4OS/c1-17(2)6-7-18-14(13(19-3)10-16-18)12(15)9-11-5-4-8-20-11/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeyINCUHFKUYXPPMS-UHFFFAOYSA-N
XLogP1.76
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(furan-2-yl)propan-1-amine
CID 105182777
2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105039846
2-[5-[amino-(5-methylfuran-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105039854
2-[5-[amino-(2-bromofuran-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 106858616
2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105182790
2-[5-[furan-2-yl(methylamino)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114649704
2-[5-[amino-(1-methylimidazol-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114659273
2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114648971
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
2-[4-methoxy-5-(2,2,2-trifluoro-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105215882
2-[5-[amino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114652461

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine (CID 114649419) is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine is COc1cnn(CCN(C)C)c1C(N)Cc1cccs1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine?
The InChIKey is INCUHFKUYXPPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-17(2)6-7-18-14(13(19-3)10-16-18)12(15)9-11-5-4-8-20-11/h4-5,8,10,12H,6-7,9,15H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine?
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine has a molecular weight of 294.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 114649419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).