2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C15H24N4OS — CID 114658403

IUPAC2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1cscc1C)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H24N4OS/c1-11-9-21-10-12(11)14(16-2)15-13(20-5)8-17-19(15)7-6-18(3)4/h8-10,14,16H,6-7H2,1-5H3
InChIKeyRCRGHPMWSNIFNP-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.13
Rot. Bonds7

About 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114658403) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114658403
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1cscc1C)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H24N4OS/c1-11-9-21-10-12(11)14(16-2)15-13(20-5)8-17-19(15)7-6-18(3)4/h8-10,14,16H,6-7H2,1-5H3
InChIKeyRCRGHPMWSNIFNP-UHFFFAOYSA-N
XLogP2.13
TPSA42.32 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-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114658402
2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114648076
2-[5-[furan-2-yl(methylamino)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114649704
2-[5-[ethylamino(1,3-thiazol-4-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114658733
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653881
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
CID 114649780
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylpentan-1-amine
CID 105039863
(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
CID 114658384
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
CID 114663647
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114658403) is 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1cscc1C)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is RCRGHPMWSNIFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11-9-21-10-12(11)14(16-2)15-13(20-5)8-17-19(15)7-6-18(3)4/h8-10,14,16H,6-7H2,1-5H3.
What are the key properties of 2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-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-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114658403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).