1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine

C9H17N3O — CID 43729119

IUPAC1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine
SMILESCOCCn1cc(NC(C)C)cn1
InChIInChI=1S/C9H17N3O/c1-8(2)11-9-6-10-12(7-9)4-5-13-3/h6-8,11H,4-5H2,1-3H3
InChIKeyFOVDKLGZDYCCMB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.35
Rot. Bonds5

About 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine

1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine (PubChem CID 43729119) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine
PubChem CID43729119
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine
SMILESCOCCn1cc(NC(C)C)cn1
InChIInChI=1S/C9H17N3O/c1-8(2)11-9-6-10-12(7-9)4-5-13-3/h6-8,11H,4-5H2,1-3H3
InChIKeyFOVDKLGZDYCCMB-UHFFFAOYSA-N
XLogP1.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine (CID 43729119) is 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine is COCCn1cc(NC(C)C)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine?
The InChIKey is FOVDKLGZDYCCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)11-9-6-10-12(7-9)4-5-13-3/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine?
1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine has a molecular weight of 183.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 43729119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).