5-(oxolan-2-yl)-1H-pyrazol-3-amine

C7H11N3O — CID 68603402

IUPAC5-(oxolan-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(C2CCCO2)[nH]n1
InChIInChI=1S/C7H11N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h4,6H,1-3H2,(H3,8,9,10)
InChIKeyCKIXUKPEHKUCPP-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.84
Rot. Bonds1

About 5-(oxolan-2-yl)-1H-pyrazol-3-amine

5-(oxolan-2-yl)-1H-pyrazol-3-amine (PubChem CID 68603402) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1H-pyrazol-3-amine
PubChem CID68603402
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-(oxolan-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(C2CCCO2)[nH]n1
InChIInChI=1S/C7H11N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h4,6H,1-3H2,(H3,8,9,10)
InChIKeyCKIXUKPEHKUCPP-UHFFFAOYSA-N
XLogP0.84
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(oxolan-2-yl)-1H-pyrazol-3-amine (CID 68603402) is 5-(oxolan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(oxolan-2-yl)-1H-pyrazol-3-amine is Nc1cc(C2CCCO2)[nH]n1.
What is the InChIKey of 5-(oxolan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is CKIXUKPEHKUCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h4,6H,1-3H2,(H3,8,9,10).
What are the key properties of 5-(oxolan-2-yl)-1H-pyrazol-3-amine?
5-(oxolan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 153.19 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 68603402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).