2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

C15H24N4OS — CID 105039846

IUPAC2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCc1ccsc1C(N)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H24N4OS/c1-5-11-6-9-21-15(11)13(16)14-12(20-4)10-17-19(14)8-7-18(2)3/h6,9-10,13H,5,7-8,16H2,1-4H3
InChIKeyHVGGQAQEFSXKOA-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.13
Rot. Bonds7

About 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105039846) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105039846
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCc1ccsc1C(N)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H24N4OS/c1-5-11-6-9-21-15(11)13(16)14-12(20-4)10-17-19(14)8-7-18(2)3/h6,9-10,13H,5,7-8,16H2,1-4H3
InChIKeyHVGGQAQEFSXKOA-UHFFFAOYSA-N
XLogP2.13
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.13
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
2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105182790
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
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine
CID 114649419
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethylthiophen-2-yl)methanol
CID 115834330
[(3-ethylthiophen-2-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339015
2-[5-[amino-(3-chlorothiophen-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041078
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]-(3-methoxythiophen-2-yl)methanone
CID 115803118
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 105039846) is 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is CCc1ccsc1C(N)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is HVGGQAQEFSXKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-5-11-6-9-21-15(11)13(16)14-12(20-4)10-17-19(14)8-7-18(2)3/h6,9-10,13H,5,7-8,16H2,1-4H3.
What are the key properties of 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 308.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105039846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).