3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine

C13H17N3O2 — CID 82479888

IUPAC3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCOc1cc(-c2n[nH]c(C)c2N)c(OC)cc1C
InChIInChI=1S/C13H17N3O2/c1-7-5-11(18-4)9(6-10(7)17-3)13-12(14)8(2)15-16-13/h5-6H,14H2,1-4H3,(H,15,16)
InChIKeyNWYJJROIPABUAW-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.29
Rot. Bonds3

About 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine

3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine (PubChem CID 82479888) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
PubChem CID82479888
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCOc1cc(-c2n[nH]c(C)c2N)c(OC)cc1C
InChIInChI=1S/C13H17N3O2/c1-7-5-11(18-4)9(6-10(7)17-3)13-12(14)8(2)15-16-13/h5-6H,14H2,1-4H3,(H,15,16)
InChIKeyNWYJJROIPABUAW-UHFFFAOYSA-N
XLogP2.29
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826861
[4-bromo-3-(2,5-dimethoxy-4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 84606646
3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826932
6-(2,5-dimethoxy-4-methylphenyl)pyridazin-3-amine
CID 82478943
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine
CID 82113707
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazol-2-amine
CID 82290583
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826863

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine (CID 82479888) is 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine is COc1cc(-c2n[nH]c(C)c2N)c(OC)cc1C.
What is the InChIKey of 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine?
The InChIKey is NWYJJROIPABUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-5-11(18-4)9(6-10(7)17-3)13-12(14)8(2)15-16-13/h5-6H,14H2,1-4H3,(H,15,16).
What are the key properties of 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine?
3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine has a molecular weight of 247.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 82479888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).