2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine

C10H19N3O — CID 102543541

IUPAC2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine
SMILESCOC(C)c1c(C)nn(CCN)c1C
InChIInChI=1S/C10H19N3O/c1-7-10(9(3)14-4)8(2)13(12-7)6-5-11/h9H,5-6,11H2,1-4H3
InChIKeyVFTFHNZEWRVKEU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.17
Rot. Bonds4

About 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine

2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine (PubChem CID 102543541) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine
PubChem CID102543541
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine
SMILESCOC(C)c1c(C)nn(CCN)c1C
InChIInChI=1S/C10H19N3O/c1-7-10(9(3)14-4)8(2)13(12-7)6-5-11/h9H,5-6,11H2,1-4H3
InChIKeyVFTFHNZEWRVKEU-UHFFFAOYSA-N
XLogP1.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1S)-1-methoxyethyl]-5-methylpyrazol-1-yl]ethanamine
CID 124500333
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
CID 19616349
2-[4-(1-aminopropan-2-yl)-3,5-dimethylpyrazol-1-yl]ethanol
CID 105450996
1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 80693840
1-(2-aminoethyl)-N-(3-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106050761
4-(1-chloroethyl)-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 62731648
1-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethanamine
CID 106457366
4-(1-chloropropyl)-1-(2-methoxyethyl)-3,5-dimethylpyrazole
CID 62730924
1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106079977
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
1-(2-aminoethyl)-3,5-dimethyl-N-propan-2-ylpyrazol-4-amine;2,2,2-trifluoroacetaldehyde
CID 160733750
1-[1-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 103183818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine (CID 102543541) is 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine is COC(C)c1c(C)nn(CCN)c1C.
What is the InChIKey of 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine?
The InChIKey is VFTFHNZEWRVKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-10(9(3)14-4)8(2)13(12-7)6-5-11/h9H,5-6,11H2,1-4H3.
What are the key properties of 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine?
2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxyethyl)-3,5-dimethylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 102543541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).