1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine

C8H15N3O — CID 62729330

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine
SMILESCOCCn1cc(C(C)N)cn1
InChIInChI=1S/C8H15N3O/c1-7(9)8-5-10-11(6-8)3-4-12-2/h5-7H,3-4,9H2,1-2H3
InChIKeyMQUMWJCJIIBENO-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.55
Rot. Bonds4

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine

1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine (PubChem CID 62729330) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine
PubChem CID62729330
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine
SMILESCOCCn1cc(C(C)N)cn1
InChIInChI=1S/C8H15N3O/c1-7(9)8-5-10-11(6-8)3-4-12-2/h5-7H,3-4,9H2,1-2H3
InChIKeyMQUMWJCJIIBENO-UHFFFAOYSA-N
XLogP0.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine (CID 62729330) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine is COCCn1cc(C(C)N)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine?
The InChIKey is MQUMWJCJIIBENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(9)8-5-10-11(6-8)3-4-12-2/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine?
1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62729330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).