3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine

C13H17N3O3 — CID 84617710

IUPAC3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
SMILESCOc1cc(-n2cc(N)c(C)n2)cc(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-8-10(14)7-16(15-8)9-5-11(17-2)13(19-4)12(6-9)18-3/h5-7H,14H2,1-4H3
InChIKeyPGINWAWQYJVUPV-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.79
Rot. Bonds4

About 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine

3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine (PubChem CID 84617710) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
PubChem CID84617710
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine
SMILESCOc1cc(-n2cc(N)c(C)n2)cc(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-8-10(14)7-16(15-8)9-5-11(17-2)13(19-4)12(6-9)18-3/h5-7H,14H2,1-4H3
InChIKeyPGINWAWQYJVUPV-UHFFFAOYSA-N
XLogP1.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
CID 84617686
ethyl 4-hydroxy-1-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate
CID 125039041
4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
4-(4-amino-3-methylpyrazol-1-yl)benzenethiol
CID 143874116
3-methoxy-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
CID 3045256
2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 43394694
1-(3,4-dimethoxy-5-propan-2-ylphenyl)imidazol-4-amine
CID 163422541
(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
CID 104941610
2,3-dimethoxy-5-methylaniline
CID 14263216
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyaniline
CID 83008583
2,3,5,6-tetramethoxyaniline
CID 19093015

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine?
The IUPAC name of 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine (CID 84617710) is 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine is COc1cc(-n2cc(N)c(C)n2)cc(OC)c1OC.
What is the InChIKey of 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine?
The InChIKey is PGINWAWQYJVUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-10(14)7-16(15-8)9-5-11(17-2)13(19-4)12(6-9)18-3/h5-7H,14H2,1-4H3.
What are the key properties of 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine?
3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine has a molecular weight of 263.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,4,5-trimethoxyphenyl)pyrazol-4-amine is sourced from PubChem (CID 84617710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).