2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine

C9H17N3O2 — CID 116792504

IUPAC2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
SMILESCCOC(CN)COc1cnn(C)c1
InChIInChI=1S/C9H17N3O2/c1-3-13-8(4-10)7-14-9-5-11-12(2)6-9/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyZWVOKNIVFUDUHM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.16
Rot. Bonds6

About 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine

2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 116792504) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
PubChem CID116792504
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
SMILESCCOC(CN)COc1cnn(C)c1
InChIInChI=1S/C9H17N3O2/c1-3-13-8(4-10)7-14-9-5-11-12(2)6-9/h5-6,8H,3-4,7,10H2,1-2H3
InChIKeyZWVOKNIVFUDUHM-UHFFFAOYSA-N
XLogP0.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793914
2-(1-methylpyrazol-4-yl)oxy-1-phenylethanol
CID 116793212
ethyl 3-(1-methylpyrazol-4-yl)oxypropanoate
CID 116792106
1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
CID 106458443
2-ethoxy-3-(3-methylsulfonylphenoxy)propan-1-amine
CID 63070637
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]butane-1-sulfonamide
CID 116793917
1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol
CID 103160725
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
1-methyl-4-(methylsulfonylmethoxy)pyrazole
CID 21465519
1-methyl-4-phenylmethoxypyrazole
CID 84661432

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine (CID 116792504) is 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine is CCOC(CN)COc1cnn(C)c1.
What is the InChIKey of 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is ZWVOKNIVFUDUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-13-8(4-10)7-14-9-5-11-12(2)6-9/h5-6,8H,3-4,7,10H2,1-2H3.
What are the key properties of 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine?
2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 199.25 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1-methylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 116792504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).