4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C12H15N3O — CID 117309638

IUPAC4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccccc1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3O/c1-15-12(13)11(7-14-15)10-6-4-3-5-9(10)8-16-2/h3-7H,8,13H2,1-2H3
InChIKeyJULYSTOLJMASOE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.82
Rot. Bonds3

About 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117309638) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117309638
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccccc1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3O/c1-15-12(13)11(7-14-15)10-6-4-3-5-9(10)8-16-2/h3-7H,8,13H2,1-2H3
InChIKeyJULYSTOLJMASOE-UHFFFAOYSA-N
XLogP1.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117309638) is 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1ccccc1-c1cnn(C)c1N.
What is the InChIKey of 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is JULYSTOLJMASOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-12(13)11(7-14-15)10-6-4-3-5-9(10)8-16-2/h3-7H,8,13H2,1-2H3.
What are the key properties of 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117309638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).