[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine

C11H19N3O — CID 114534040

IUPAC[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)Cc1cnn(C)c1
InChIInChI=1S/C11H19N3O/c1-9-11(8-12,3-4-15-9)5-10-6-13-14(2)7-10/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyDHRZMKSDAQVLGZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.72
Rot. Bonds3

About [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine

[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 114534040) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine
PubChem CID114534040
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)Cc1cnn(C)c1
InChIInChI=1S/C11H19N3O/c1-9-11(8-12,3-4-15-9)5-10-6-13-14(2)7-10/h6-7,9H,3-5,8,12H2,1-2H3
InChIKeyDHRZMKSDAQVLGZ-UHFFFAOYSA-N
XLogP0.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine (CID 114534040) is [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine is CC1OCCC1(CN)Cc1cnn(C)c1.
What is the InChIKey of [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is DHRZMKSDAQVLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-11(8-12,3-4-15-9)5-10-6-13-14(2)7-10/h6-7,9H,3-5,8,12H2,1-2H3.
What are the key properties of [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine?
[2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[(1-methylpyrazol-4-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 114534040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).