1-(2-cyclopropyloxyethyl)pyrazol-4-amine

C8H13N3O — CID 165480106

IUPAC1-(2-cyclopropyloxyethyl)pyrazol-4-amine
SMILESNc1cnn(CCOC2CC2)c1
InChIInChI=1S/C8H13N3O/c9-7-5-10-11(6-7)3-4-12-8-1-2-8/h5-6,8H,1-4,9H2
InChIKeyRFFVJUGKFJYLCD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.64
Rot. Bonds4

About 1-(2-cyclopropyloxyethyl)pyrazol-4-amine

1-(2-cyclopropyloxyethyl)pyrazol-4-amine (PubChem CID 165480106) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-cyclopropyloxyethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-cyclopropyloxyethyl)pyrazol-4-amine
PubChem CID165480106
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(2-cyclopropyloxyethyl)pyrazol-4-amine
SMILESNc1cnn(CCOC2CC2)c1
InChIInChI=1S/C8H13N3O/c9-7-5-10-11(6-7)3-4-12-8-1-2-8/h5-6,8H,1-4,9H2
InChIKeyRFFVJUGKFJYLCD-UHFFFAOYSA-N
XLogP0.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxyethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-cyclopropyloxyethyl)pyrazol-4-amine (CID 165480106) is 1-(2-cyclopropyloxyethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-cyclopropyloxyethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-cyclopropyloxyethyl)pyrazol-4-amine is Nc1cnn(CCOC2CC2)c1.
What is the InChIKey of 1-(2-cyclopropyloxyethyl)pyrazol-4-amine?
The InChIKey is RFFVJUGKFJYLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7-5-10-11(6-7)3-4-12-8-1-2-8/h5-6,8H,1-4,9H2.
What are the key properties of 1-(2-cyclopropyloxyethyl)pyrazol-4-amine?
1-(2-cyclopropyloxyethyl)pyrazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxyethyl)pyrazol-4-amine is sourced from PubChem (CID 165480106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).