1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine

C9H17N3O — CID 63316247

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
SMILESCC(C)(C)OCCn1ccc(N)n1
InChIInChI=1S/C9H17N3O/c1-9(2,3)13-7-6-12-5-4-8(10)11-12/h4-5H,6-7H2,1-3H3,(H2,10,11)
InChIKeyMFKTYIXJRDFHDW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.28
Rot. Bonds3

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine (PubChem CID 63316247) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
PubChem CID63316247
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
SMILESCC(C)(C)OCCn1ccc(N)n1
InChIInChI=1S/C9H17N3O/c1-9(2,3)13-7-6-12-5-4-8(10)11-12/h4-5H,6-7H2,1-3H3,(H2,10,11)
InChIKeyMFKTYIXJRDFHDW-UHFFFAOYSA-N
XLogP1.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-3-carboxylic acid
CID 112590103
1-(2,2-dimethylpropyl)pyrazol-3-amine
CID 21060233
1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63315810
1-[2-(2-cyclopropylethoxy)ethyl]pyrazol-3-amine
CID 106200002
1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]pyrazol-3-amine
CID 63316422
4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 112589426
tert-butyl 2-[2-(3-aminopyrazol-1-yl)ethylsulfanyl]acetate
CID 116686891
1-[2-(3,4-dimethylphenoxy)ethyl]pyrazol-3-amine
CID 63316031
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrazol-3-amine
CID 63316417
1-(2-methoxyethyl)pyrazol-3-amine;1H-pyrazol-5-amine
CID 158647054
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-amine
CID 63316113
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine (CID 63316247) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine is CC(C)(C)OCCn1ccc(N)n1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine?
The InChIKey is MFKTYIXJRDFHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)13-7-6-12-5-4-8(10)11-12/h4-5H,6-7H2,1-3H3,(H2,10,11).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine has a molecular weight of 183.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine is sourced from PubChem (CID 63316247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).