4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine

C12H15N3O2 — CID 680670

IUPAC4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2C)cc1OC
InChIInChI=1S/C12H15N3O2/c1-7-11(12(13)15-14-7)8-4-5-9(16-2)10(6-8)17-3/h4-6H,1-3H3,(H3,13,14,15)
InChIKeyXHRZFDDZHQRHFP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.98
Rot. Bonds3

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

4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 680670) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
PubChem CID680670
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2c(N)n[nH]c2C)cc1OC
InChIInChI=1S/C12H15N3O2/c1-7-11(12(13)15-14-7)8-4-5-9(16-2)10(6-8)17-3/h4-6H,1-3H3,(H3,13,14,15)
InChIKeyXHRZFDDZHQRHFP-UHFFFAOYSA-N
XLogP1.98
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine (CID 680670) is 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine is COc1ccc(-c2c(N)n[nH]c2C)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is XHRZFDDZHQRHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-11(12(13)15-14-7)8-4-5-9(16-2)10(6-8)17-3/h4-6H,1-3H3,(H3,13,14,15).
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 233.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 680670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).