[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine

C16H23N3O — CID 107663593

IUPAC[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCCC(C)c1ccc(Oc2c(CN)c(C)nn2C)cc1
InChIInChI=1S/C16H23N3O/c1-5-11(2)13-6-8-14(9-7-13)20-16-15(10-17)12(3)18-19(16)4/h6-9,11H,5,10,17H2,1-4H3
InChIKeyMZCUTZNSPQSMRM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.49
Rot. Bonds5

About [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine

[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 107663593) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID107663593
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCCC(C)c1ccc(Oc2c(CN)c(C)nn2C)cc1
InChIInChI=1S/C16H23N3O/c1-5-11(2)13-6-8-14(9-7-13)20-16-15(10-17)12(3)18-19(16)4/h6-9,11H,5,10,17H2,1-4H3
InChIKeyMZCUTZNSPQSMRM-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 107666719
1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine
CID 63817332
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966246
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
[5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 104706400
N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
[5-(4-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964073
N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283362
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596

Frequently Asked Questions

What is the IUPAC name of [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine (CID 107663593) is [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine is CCC(C)c1ccc(Oc2c(CN)c(C)nn2C)cc1.
What is the InChIKey of [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is MZCUTZNSPQSMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-11(2)13-6-8-14(9-7-13)20-16-15(10-17)12(3)18-19(16)4/h6-9,11H,5,10,17H2,1-4H3.
What are the key properties of [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 107663593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).