[5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine

C10H17N3O — CID 130583637

IUPAC[5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine
SMILESCc1nn(C)cc1C1CCC(CN)O1
InChIInChI=1S/C10H17N3O/c1-7-9(6-13(2)12-7)10-4-3-8(5-11)14-10/h6,8,10H,3-5,11H2,1-2H3
InChIKeyGQYYUILEEBWQSP-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.91
Rot. Bonds2

About [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine

[5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine (PubChem CID 130583637) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine
PubChem CID130583637
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine
SMILESCc1nn(C)cc1C1CCC(CN)O1
InChIInChI=1S/C10H17N3O/c1-7-9(6-13(2)12-7)10-4-3-8(5-11)14-10/h6,8,10H,3-5,11H2,1-2H3
InChIKeyGQYYUILEEBWQSP-UHFFFAOYSA-N
XLogP0.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine (CID 130583637) is [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine is Cc1nn(C)cc1C1CCC(CN)O1.
What is the InChIKey of [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine?
The InChIKey is GQYYUILEEBWQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-9(6-13(2)12-7)10-4-3-8(5-11)14-10/h6,8,10H,3-5,11H2,1-2H3.
What are the key properties of [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine?
[5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dimethylpyrazol-4-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 130583637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).