[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine

C16H23N3O — CID 96669283

IUPAC[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCOc1c(-c2cc(CN)[nH]n2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C16H23N3O/c1-10-6-12(14-8-11(9-17)18-19-14)15(20-5)13(7-10)16(2,3)4/h6-8H,9,17H2,1-5H3,(H,18,19)
InChIKeyOOKQEIZNVYVICH-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds3

About [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine

[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 96669283) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID96669283
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCOc1c(-c2cc(CN)[nH]n2)cc(C)cc1C(C)(C)C
InChIInChI=1S/C16H23N3O/c1-10-6-12(14-8-11(9-17)18-19-14)15(20-5)13(7-10)16(2,3)4/h6-8H,9,17H2,1-5H3,(H,18,19)
InChIKeyOOKQEIZNVYVICH-UHFFFAOYSA-N
XLogP3.15
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-tert-butyl-2-methoxy-5-methylphenyl)-2H-tetrazole
CID 82295340
5-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-imidazol-2-amine
CID 82301222
2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82486872
4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
[3-(2,4,6-trimethoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 96666406
2-methoxy-4-methyl-6-[5-(2,4,4-trimethylpentyl)-1H-pyrazol-3-yl]phenol
CID 137275774
[3-(2,3,5,6-tetramethylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82474207
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-9,9-diethylfluorene
CID 89442381
2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82479088
1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 82292256
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-hydroxyethanone
CID 82291654

Frequently Asked Questions

What is the IUPAC name of [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine (CID 96669283) is [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine is COc1c(-c2cc(CN)[nH]n2)cc(C)cc1C(C)(C)C.
What is the InChIKey of [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is OOKQEIZNVYVICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-6-12(14-8-11(9-17)18-19-14)15(20-5)13(7-10)16(2,3)4/h6-8H,9,17H2,1-5H3,(H,18,19).
What are the key properties of [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine?
[3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-tert-butyl-2-methoxy-5-methylphenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 96669283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).