N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine

C8H15N3O — CID 43729152

IUPACN-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCCNc1cnn(CCOC)c1
InChIInChI=1S/C8H15N3O/c1-3-9-8-6-10-11(7-8)4-5-12-2/h6-7,9H,3-5H2,1-2H3
InChIKeyNLUGNTYXLGWRGC-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.96
Rot. Bonds5

About N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine

N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43729152) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43729152
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCCNc1cnn(CCOC)c1
InChIInChI=1S/C8H15N3O/c1-3-9-8-6-10-11(7-8)4-5-12-2/h6-7,9H,3-5H2,1-2H3
InChIKeyNLUGNTYXLGWRGC-UHFFFAOYSA-N
XLogP0.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine (CID 43729152) is N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine is CCNc1cnn(CCOC)c1.
What is the InChIKey of N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is NLUGNTYXLGWRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-9-8-6-10-11(7-8)4-5-12-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine?
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 169.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43729152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).