3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C13H17N3O2 — CID 117370803

IUPAC3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1cc(OC)cc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C13H17N3O2/c1-16-13(14)7-12(15-16)10-4-9(8-17-2)5-11(6-10)18-3/h4-7H,8,14H2,1-3H3
InChIKeyMWTWKQUGUSVTOC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.82
Rot. Bonds4

About 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117370803) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117370803
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1cc(OC)cc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C13H17N3O2/c1-16-13(14)7-12(15-16)10-4-9(8-17-2)5-11(6-10)18-3/h4-7H,8,14H2,1-3H3
InChIKeyMWTWKQUGUSVTOC-UHFFFAOYSA-N
XLogP1.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117370803) is 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1cc(OC)cc(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is MWTWKQUGUSVTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-13(14)7-12(15-16)10-4-9(8-17-2)5-11(6-10)18-3/h4-7H,8,14H2,1-3H3.
What are the key properties of 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117370803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).