2-(4-cyclobutyloxypyrazol-1-yl)ethanamine

C9H15N3O — CID 117234339

IUPAC2-(4-cyclobutyloxypyrazol-1-yl)ethanamine
SMILESNCCn1cc(OC2CCC2)cn1
InChIInChI=1S/C9H15N3O/c10-4-5-12-7-9(6-11-12)13-8-2-1-3-8/h6-8H,1-5,10H2
InChIKeyIDKJDRGLXFIEEQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.77
Rot. Bonds4

About 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine

2-(4-cyclobutyloxypyrazol-1-yl)ethanamine (PubChem CID 117234339) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclobutyloxypyrazol-1-yl)ethanamine
PubChem CID117234339
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(4-cyclobutyloxypyrazol-1-yl)ethanamine
SMILESNCCn1cc(OC2CCC2)cn1
InChIInChI=1S/C9H15N3O/c10-4-5-12-7-9(6-11-12)13-8-2-1-3-8/h6-8H,1-5,10H2
InChIKeyIDKJDRGLXFIEEQ-UHFFFAOYSA-N
XLogP0.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(thian-3-yloxy)pyrazol-1-yl]ethanamine
CID 117234212
2-[4-(1-methylpyrrolidin-3-yl)oxypyrazol-1-yl]ethanamine
CID 117234171
2-[4-(1-methylpyrrolidin-2-yl)oxypyrazol-1-yl]ethanamine
CID 117234221
2-(4-cyclopentyloxypyrazol-1-yl)-N-methylethanamine
CID 117125339
1-(2-cyclobutyloxyethyl)pyrazol-4-amine
CID 62137723
1-(4-cyclopentyloxypyrazol-1-yl)propan-2-one
CID 117124912
2-[4-[(1-methylpyrrolidin-2-yl)methoxy]pyrazol-1-yl]ethanamine
CID 117234241
2-[4-(2-pyrrolidin-1-ylethoxy)pyrazol-1-yl]ethanamine
CID 117234343
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
CID 164885762
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164885761
3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride
CID 164885763
4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxypiperidine
CID 174287924

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine?
The IUPAC name of 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine (CID 117234339) is 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine is NCCn1cc(OC2CCC2)cn1.
What is the InChIKey of 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine?
The InChIKey is IDKJDRGLXFIEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-4-5-12-7-9(6-11-12)13-8-2-1-3-8/h6-8H,1-5,10H2.
What are the key properties of 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine?
2-(4-cyclobutyloxypyrazol-1-yl)ethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyloxypyrazol-1-yl)ethanamine is sourced from PubChem (CID 117234339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).