1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine

C11H19N3O2 — CID 146572409

IUPAC1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine
SMILESCOCCn1nc(C2CCOCC2)cc1N
InChIInChI=1S/C11H19N3O2/c1-15-7-4-14-11(12)8-10(13-14)9-2-5-16-6-3-9/h8-9H,2-7,12H2,1H3
InChIKeyLQUHTPSVWJDIMF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.01
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine

1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine (PubChem CID 146572409) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine
PubChem CID146572409
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine
SMILESCOCCn1nc(C2CCOCC2)cc1N
InChIInChI=1S/C11H19N3O2/c1-15-7-4-14-11(12)8-10(13-14)9-2-5-16-6-3-9/h8-9H,2-7,12H2,1H3
InChIKeyLQUHTPSVWJDIMF-UHFFFAOYSA-N
XLogP1.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine?
The IUPAC name of 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine (CID 146572409) is 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine?
The canonical SMILES for 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine is COCCn1nc(C2CCOCC2)cc1N.
What is the InChIKey of 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine?
The InChIKey is LQUHTPSVWJDIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-15-7-4-14-11(12)8-10(13-14)9-2-5-16-6-3-9/h8-9H,2-7,12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine?
1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine has a molecular weight of 225.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(oxan-4-yl)pyrazol-5-amine is sourced from PubChem (CID 146572409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).