[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine

C15H21N3O — CID 82484172

IUPAC[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2C)cc1C(C)C
InChIInChI=1S/C15H21N3O/c1-10(2)13-7-11(5-6-15(13)19-4)14-8-12(9-16)17-18(14)3/h5-8,10H,9,16H2,1-4H3
InChIKeyMWXWBWKIPKNGJC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds4

About [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine

[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine (PubChem CID 82484172) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
PubChem CID82484172
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2C)cc1C(C)C
InChIInChI=1S/C15H21N3O/c1-10(2)13-7-11(5-6-15(13)19-4)14-8-12(9-16)17-18(14)3/h5-8,10H,9,16H2,1-4H3
InChIKeyMWXWBWKIPKNGJC-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 98022877
[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82072386
[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
CID 84611620
[5-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-3-methylimidazol-4-yl]methanamine
CID 84611572
[5-(4-methoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159588
[5-(4-butan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82478236
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343
2-[1-methyl-5-(3-methyl-4-propan-2-yloxyphenyl)pyrazol-3-yl]ethanamine
CID 96669271
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine
CID 84605964
[4-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605901

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine (CID 82484172) is [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine is COc1ccc(-c2cc(CN)nn2C)cc1C(C)C.
What is the InChIKey of [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine?
The InChIKey is MWXWBWKIPKNGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)13-7-11(5-6-15(13)19-4)14-8-12(9-16)17-18(14)3/h5-8,10H,9,16H2,1-4H3.
What are the key properties of [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine?
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82484172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).