3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine

C13H17N3O2 — CID 117370817

IUPAC3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(OC)c(-c2cc(N)n(C)n2)c1C
InChIInChI=1S/C13H17N3O2/c1-8-10(17-3)5-6-11(18-4)13(8)9-7-12(14)16(2)15-9/h5-7H,14H2,1-4H3
InChIKeyYGPDIKIVXJKUDO-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.99
Rot. Bonds3

About 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine

3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117370817) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117370817
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1ccc(OC)c(-c2cc(N)n(C)n2)c1C
InChIInChI=1S/C13H17N3O2/c1-8-10(17-3)5-6-11(18-4)13(8)9-7-12(14)16(2)15-9/h5-7H,14H2,1-4H3
InChIKeyYGPDIKIVXJKUDO-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)-1-methylpyrazol-5-amine
CID 117431561
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451531
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
1-methyl-3-(2-methyl-6-propan-2-yloxyphenyl)pyrazol-5-amine
CID 117365754
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine (CID 117370817) is 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine is COc1ccc(OC)c(-c2cc(N)n(C)n2)c1C.
What is the InChIKey of 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is YGPDIKIVXJKUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-10(17-3)5-6-11(18-4)13(8)9-7-12(14)16(2)15-9/h5-7H,14H2,1-4H3.
What are the key properties of 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine?
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117370817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).