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

C15H28N4O2 — CID 114658245

IUPAC2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1c(OC)cnn1CCN(C)C)C1(C)CCCO1
InChIInChI=1S/C15H28N4O2/c1-15(7-6-10-21-15)14(16-2)13-12(20-5)11-17-19(13)9-8-18(3)4/h11,14,16H,6-10H2,1-5H3
InChIKeySMZZIXJSJQSQTM-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.28
Rot. Bonds7

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

2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114658245) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114658245
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1c(OC)cnn1CCN(C)C)C1(C)CCCO1
InChIInChI=1S/C15H28N4O2/c1-15(7-6-10-21-15)14(16-2)13-12(20-5)11-17-19(13)9-8-18(3)4/h11,14,16H,6-10H2,1-5H3
InChIKeySMZZIXJSJQSQTM-UHFFFAOYSA-N
XLogP1.28
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-chloro-5-[ethylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658260
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114658243
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
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,3-dimethylpentan-1-amine
CID 105039863
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653881
2-[4-bromo-5-[(1-methoxycyclobutyl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660931
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048052
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
2-[5-[furan-2-yl(methylamino)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114649704
2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658403
2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114654585

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114658245) is 2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1c(OC)cnn1CCN(C)C)C1(C)CCCO1.
What is the InChIKey of 2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is SMZZIXJSJQSQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(7-6-10-21-15)14(16-2)13-12(20-5)11-17-19(13)9-8-18(3)4/h11,14,16H,6-10H2,1-5H3.
What are the key properties of 2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 296.41 g/mol, XLogP of 1.28, 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-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114658245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).