1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine

C13H17N3O2 — CID 29060900

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine
SMILESCOc1ccc(Cn2ncc(C)c2N)cc1OC
InChIInChI=1S/C13H17N3O2/c1-9-7-15-16(13(9)14)8-10-4-5-11(17-2)12(6-10)18-3/h4-7H,8,14H2,1-3H3
InChIKeyDUJSJYBDDFYHFN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.84
Rot. Bonds4

About 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine

1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine (PubChem CID 29060900) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine
PubChem CID29060900
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine
SMILESCOc1ccc(Cn2ncc(C)c2N)cc1OC
InChIInChI=1S/C13H17N3O2/c1-9-7-15-16(13(9)14)8-10-4-5-11(17-2)12(6-10)18-3/h4-7H,8,14H2,1-3H3
InChIKeyDUJSJYBDDFYHFN-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine (CID 29060900) is 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine is COc1ccc(Cn2ncc(C)c2N)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine?
The InChIKey is DUJSJYBDDFYHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-7-15-16(13(9)14)8-10-4-5-11(17-2)12(6-10)18-3/h4-7H,8,14H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine?
1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-amine is sourced from PubChem (CID 29060900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).