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

C13H24N4O2 — CID 114654585

IUPAC2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(N)C1CCCO1
InChIInChI=1S/C13H24N4O2/c1-16(2)6-7-17-13(11(18-3)9-15-17)12(14)10-5-4-8-19-10/h9-10,12H,4-8,14H2,1-3H3
InChIKeyJMDNDJAEKDAWBZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.63
Rot. Bonds6

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

2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114654585) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114654585
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(N)C1CCCO1
InChIInChI=1S/C13H24N4O2/c1-16(2)6-7-17-13(11(18-3)9-15-17)12(14)10-5-4-8-19-10/h9-10,12H,4-8,14H2,1-3H3
InChIKeyJMDNDJAEKDAWBZ-UHFFFAOYSA-N
XLogP0.63
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[amino-(4-methylmorpholin-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114657181
2-[5-[hydrazinyl(oxan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105336037
2-[5-[1-hydrazinyl-2-(oxolan-2-yl)ethyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105198802
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
2-[5-[amino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114652461
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
2-[5-[amino-(5-methylfuran-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105039854
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine
CID 114660442
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(oxolan-2-yl)propan-1-amine
CID 105041029
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propylmorpholin-2-yl)methanamine
CID 114657813
3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 115834678
2-[4-methoxy-5-[methylamino-(2-methyloxolan-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658245

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 114654585) is 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is COc1cnn(CCN(C)C)c1C(N)C1CCCO1.
What is the InChIKey of 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is JMDNDJAEKDAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-16(2)6-7-17-13(11(18-3)9-15-17)12(14)10-5-4-8-19-10/h9-10,12H,4-8,14H2,1-3H3.
What are the key properties of 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 268.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114654585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).