3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine

C16H23N3O — CID 79225724

IUPAC3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(-n2nc(C)c(CC(C)CN)c2C)cc1
InChIInChI=1S/C16H23N3O/c1-11(10-17)9-16-12(2)18-19(13(16)3)14-5-7-15(20-4)8-6-14/h5-8,11H,9-10,17H2,1-4H3
InChIKeyBISAAFDZZCXZDH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.64
Rot. Bonds5

About 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine

3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (PubChem CID 79225724) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
PubChem CID79225724
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(-n2nc(C)c(CC(C)CN)c2C)cc1
InChIInChI=1S/C16H23N3O/c1-11(10-17)9-16-12(2)18-19(13(16)3)14-5-7-15(20-4)8-6-14/h5-8,11H,9-10,17H2,1-4H3
InChIKeyBISAAFDZZCXZDH-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (CID 79225724) is 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is COc1ccc(-n2nc(C)c(CC(C)CN)c2C)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is BISAAFDZZCXZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(10-17)9-16-12(2)18-19(13(16)3)14-5-7-15(20-4)8-6-14/h5-8,11H,9-10,17H2,1-4H3.
What are the key properties of 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79225724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).