[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine

C8H13N3O — CID 122163866

IUPAC[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine
SMILESNCC1CCC(c2ccn[nH]2)O1
InChIInChI=1S/C8H13N3O/c9-5-6-1-2-8(12-6)7-3-4-10-11-7/h3-4,6,8H,1-2,5,9H2,(H,10,11)
InChIKeyVTMGMNUDLLSXDI-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds2

About [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine

[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine (PubChem CID 122163866) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine
PubChem CID122163866
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine
SMILESNCC1CCC(c2ccn[nH]2)O1
InChIInChI=1S/C8H13N3O/c9-5-6-1-2-8(12-6)7-3-4-10-11-7/h3-4,6,8H,1-2,5,9H2,(H,10,11)
InChIKeyVTMGMNUDLLSXDI-UHFFFAOYSA-N
XLogP0.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine (CID 122163866) is [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine is NCC1CCC(c2ccn[nH]2)O1.
What is the InChIKey of [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine?
The InChIKey is VTMGMNUDLLSXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-5-6-1-2-8(12-6)7-3-4-10-11-7/h3-4,6,8H,1-2,5,9H2,(H,10,11).
What are the key properties of [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine?
[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 122163866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).