3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine

C16H23N3O — CID 43336661

IUPAC3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2c(C(C)(C)C)nn(C)c2N)ccc1C
InChIInChI=1S/C16H23N3O/c1-10-7-8-11(9-12(10)20-6)13-14(16(2,3)4)18-19(5)15(13)17/h7-9H,17H2,1-6H3
InChIKeyIOWLYXUCDATAAU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds2

About 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine

3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 43336661) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID43336661
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2c(C(C)(C)C)nn(C)c2N)ccc1C
InChIInChI=1S/C16H23N3O/c1-10-7-8-11(9-12(10)20-6)13-14(16(2,3)4)18-19(5)15(13)17/h7-9H,17H2,1-6H3
InChIKeyIOWLYXUCDATAAU-UHFFFAOYSA-N
XLogP3.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxy-4-methylphenyl)-1,4-dimethylpyrazol-5-amine
CID 43158798
3-tert-butyl-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158703
5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605127
3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 43158422
3-tert-butyl-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 58958602
4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
CID 59151784
1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
CID 119003875
ethyl 5-(3-methoxy-4-methylphenyl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 63382531
2-methyl-5-(2,4,6-trimethoxyphenyl)aniline
CID 61025430
4-(1,5-dimethylpyrazol-3-yl)-2-methoxyaniline
CID 134456084
4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43336125

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine (CID 43336661) is 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine is COc1cc(-c2c(C(C)(C)C)nn(C)c2N)ccc1C.
What is the InChIKey of 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is IOWLYXUCDATAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-7-8-11(9-12(10)20-6)13-14(16(2,3)4)18-19(5)15(13)17/h7-9H,17H2,1-6H3.
What are the key properties of 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine?
3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 273.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43336661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).