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

C15H28N4OS — CID 105182788

IUPAC2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1c(OC)cnn1CCN(C)C)C1CCSC1
InChIInChI=1S/C15H28N4OS/c1-5-16-14(12-6-9-21-11-12)15-13(20-4)10-17-19(15)8-7-18(2)3/h10,12,14,16H,5-9,11H2,1-4H3
InChIKeyDFJLEIGKDHGADB-UHFFFAOYSA-N
MW312.48 g/mol
LogP1.86
Rot. Bonds8

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

2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105182788) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105182788
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC Name2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCNC(c1c(OC)cnn1CCN(C)C)C1CCSC1
InChIInChI=1S/C15H28N4OS/c1-5-16-14(12-6-9-21-11-12)15-13(20-4)10-17-19(15)8-7-18(2)3/h10,12,14,16H,5-9,11H2,1-4H3
InChIKeyDFJLEIGKDHGADB-UHFFFAOYSA-N
XLogP1.86
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2,2-difluoroethanamine
CID 103517114
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylbutan-1-amine
CID 114651722
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
CID 114649780
N-[(4-ethylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114655232
2-[4-chloro-5-[1,4-dithian-2-yl(ethylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658049
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127935
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-3-yl)methanol
CID 105130248
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethylbut-3-en-1-amine
CID 114660836
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127294
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648480
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118

Frequently Asked Questions

What is the IUPAC name of 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 105182788) is 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is CCNC(c1c(OC)cnn1CCN(C)C)C1CCSC1.
What is the InChIKey of 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is DFJLEIGKDHGADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-5-16-14(12-6-9-21-11-12)15-13(20-4)10-17-19(15)8-7-18(2)3/h10,12,14,16H,5-9,11H2,1-4H3.
What are the key properties of 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 312.48 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[ethylamino(thiolan-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105182788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).