1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine

C12H21N3O3 — CID 105048056

IUPAC1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
SMILESCCn1ncc(OC)c1C(NC)C1COCCO1
InChIInChI=1S/C12H21N3O3/c1-4-15-12(9(16-3)7-14-15)11(13-2)10-8-17-5-6-18-10/h7,10-11,13H,4-6,8H2,1-3H3
InChIKeySJVOYOXJNGRITB-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.59
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine

1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine (PubChem CID 105048056) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
PubChem CID105048056
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
SMILESCCn1ncc(OC)c1C(NC)C1COCCO1
InChIInChI=1S/C12H21N3O3/c1-4-15-12(9(16-3)7-14-15)11(13-2)10-8-17-5-6-18-10/h7,10-11,13H,4-6,8H2,1-3H3
InChIKeySJVOYOXJNGRITB-UHFFFAOYSA-N
XLogP0.59
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837206
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)-N-methylmethanamine
CID 114657785
1,4-dioxan-2-yl-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837776
1-(3-bicyclo[3.1.0]hexanyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine
CID 105047693
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114657219
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660208
2-[4-bromo-5-[1,4-dioxan-2-yl(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105041124
(4-chloro-1-ethylpyrazol-5-yl)-(1,4-dioxan-2-yl)methanol
CID 115834933
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048052
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810342

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine (CID 105048056) is 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine is CCn1ncc(OC)c1C(NC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine?
The InChIKey is SJVOYOXJNGRITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-15-12(9(16-3)7-14-15)11(13-2)10-8-17-5-6-18-10/h7,10-11,13H,4-6,8H2,1-3H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine?
1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine has a molecular weight of 255.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105048056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).