[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine

C15H21N3O — CID 117123535

IUPAC[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
SMILESCOc1c(CN)c(C(C)C)nn1-c1ccccc1C
InChIInChI=1S/C15H21N3O/c1-10(2)14-12(9-16)15(19-4)18(17-14)13-8-6-5-7-11(13)3/h5-8,10H,9,16H2,1-4H3
InChIKeyVWKAAOKYEAVEQS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.77
Rot. Bonds4

About [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine

[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine (PubChem CID 117123535) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
PubChem CID117123535
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine
SMILESCOc1c(CN)c(C(C)C)nn1-c1ccccc1C
InChIInChI=1S/C15H21N3O/c1-10(2)14-12(9-16)15(19-4)18(17-14)13-8-6-5-7-11(13)3/h5-8,10H,9,16H2,1-4H3
InChIKeyVWKAAOKYEAVEQS-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]acetic acid
CID 117123695
[5-methoxy-1-(2-methoxyphenyl)-3-propan-2-ylpyrazol-4-yl]methanol
CID 117123466
3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117123755
[3-(2-methylphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 105488482
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056348
[5-methoxy-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
CID 117123519
[3-tert-butyl-1-(2-chlorophenyl)-5-methoxypyrazol-4-yl]methanamine
CID 117123555
3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
2-[1-(3-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]ethanamine
CID 117123906
2-[5-methoxy-1-(2-methylphenyl)pyrazol-4-yl]acetic acid
CID 115069088
2-[5-methoxy-1-(2-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123596

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine?
The IUPAC name of [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine (CID 117123535) is [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine is COc1c(CN)c(C(C)C)nn1-c1ccccc1C.
What is the InChIKey of [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine?
The InChIKey is VWKAAOKYEAVEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(2)14-12(9-16)15(19-4)18(17-14)13-8-6-5-7-11(13)3/h5-8,10H,9,16H2,1-4H3.
What are the key properties of [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine?
[5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-(2-methylphenyl)-3-propan-2-ylpyrazol-4-yl]methanamine is sourced from PubChem (CID 117123535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).