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

C14H19N3O2 — CID 116826861

IUPAC3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCOc1cc(-c2n[nH]c(C)c2N)c(OC)c(C)c1C
InChIInChI=1S/C14H19N3O2/c1-7-8(2)14(19-5)10(6-11(7)18-4)13-12(15)9(3)16-17-13/h6H,15H2,1-5H3,(H,16,17)
InChIKeyVXZRQGMBPTTZCV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.60
Rot. Bonds3

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

3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine (PubChem CID 116826861) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine
PubChem CID116826861
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCOc1cc(-c2n[nH]c(C)c2N)c(OC)c(C)c1C
InChIInChI=1S/C14H19N3O2/c1-7-8(2)14(19-5)10(6-11(7)18-4)13-12(15)9(3)16-17-13/h6H,15H2,1-5H3,(H,16,17)
InChIKeyVXZRQGMBPTTZCV-UHFFFAOYSA-N
XLogP2.60
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82479888
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine
CID 116879386
4-methoxy-5-methyl-1H-pyrazol-3-amine
CID 45078788
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
5-methyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-amine
CID 82113707
4-bromo-3-(5-chloro-2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole
CID 116856682
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826863
3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826932
6-bromo-5-methoxy-3-methyl-2H-indazole
CID 176567040
4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
CID 42639134

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine (CID 116826861) is 3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine is COc1cc(-c2n[nH]c(C)c2N)c(OC)c(C)c1C.
What is the InChIKey of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine?
The InChIKey is VXZRQGMBPTTZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-7-8(2)14(19-5)10(6-11(7)18-4)13-12(15)9(3)16-17-13/h6H,15H2,1-5H3,(H,16,17).
What are the key properties of 3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine?
3-(2,5-dimethoxy-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.60, 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-3,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 116826861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).