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

C16H23N3O — CID 114799027

IUPAC3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCOc1cccc(-n2nc(C)c(CC(C)CN)c2C)c1
InChIInChI=1S/C16H23N3O/c1-11(10-17)8-16-12(2)18-19(13(16)3)14-6-5-7-15(9-14)20-4/h5-7,9,11H,8,10,17H2,1-4H3
InChIKeyVNQDIMXCLGWJGP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.64
Rot. Bonds5

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

3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (PubChem CID 114799027) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
PubChem CID114799027
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCOc1cccc(-n2nc(C)c(CC(C)CN)c2C)c1
InChIInChI=1S/C16H23N3O/c1-11(10-17)8-16-12(2)18-19(13(16)3)14-6-5-7-15(9-14)20-4/h5-7,9,11H,8,10,17H2,1-4H3
InChIKeyVNQDIMXCLGWJGP-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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Related Compounds

3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79225724
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114799021
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
[(2R)-1-amino-1-oxopropan-2-yl] 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 8732968
3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79225551
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 79170217
2-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 114799034
N-ethyl-3-[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79223350
[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride
CID 68802903
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 9033059
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
propan-2-yl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760299

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (CID 114799027) is 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is COc1cccc(-n2nc(C)c(CC(C)CN)c2C)c1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is VNQDIMXCLGWJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(10-17)8-16-12(2)18-19(13(16)3)14-6-5-7-15(9-14)20-4/h5-7,9,11H,8,10,17H2,1-4H3.
What are the key properties of 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
3-[1-(3-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-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 114799027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).