1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine

C9H15N3O — CID 104747073

IUPAC1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine
SMILESNC(Cn1cccn1)C1CCOC1
InChIInChI=1S/C9H15N3O/c10-9(8-2-5-13-7-8)6-12-4-1-3-11-12/h1,3-4,8-9H,2,5-7,10H2
InChIKeyKPYXFLXWQXWKOS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.25
Rot. Bonds3

About 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine

1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine (PubChem CID 104747073) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine
PubChem CID104747073
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine
SMILESNC(Cn1cccn1)C1CCOC1
InChIInChI=1S/C9H15N3O/c10-9(8-2-5-13-7-8)6-12-4-1-3-11-12/h1,3-4,8-9H,2,5-7,10H2
InChIKeyKPYXFLXWQXWKOS-UHFFFAOYSA-N
XLogP0.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-3-yl)-2-(1,2,4-triazol-1-yl)ethanamine
CID 104747084
2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747821
5-[2-amino-2-(oxolan-3-yl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104748230
1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxolan-3-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 104746984
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 97065320
3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747851
N-(2-pyrazol-1-ylethyl)oxolan-3-amine
CID 63335100
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104746378

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine?
The IUPAC name of 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine (CID 104747073) is 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine is NC(Cn1cccn1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine?
The InChIKey is KPYXFLXWQXWKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9(8-2-5-13-7-8)6-12-4-1-3-11-12/h1,3-4,8-9H,2,5-7,10H2.
What are the key properties of 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine?
1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine has a molecular weight of 181.24 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 104747073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).