[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine

C15H21N3O — CID 65445831

IUPAC[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCOc1ccc(CCn2nc(C)c(CN)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-11-15(10-16)12(2)18(17-11)9-8-13-4-6-14(19-3)7-5-13/h4-7H,8-10,16H2,1-3H3
InChIKeyQKADEIMLEYUTOU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.21
Rot. Bonds5

About [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine

[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 65445831) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID65445831
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCOc1ccc(CCn2nc(C)c(CN)c2C)cc1
InChIInChI=1S/C15H21N3O/c1-11-15(10-16)12(2)18(17-11)9-8-13-4-6-14(19-3)7-5-13/h4-7H,8-10,16H2,1-3H3
InChIKeyQKADEIMLEYUTOU-UHFFFAOYSA-N
XLogP2.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966353
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
CID 62730416
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
2-[1-[2-(4-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 79982447
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
[5-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662791
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 134712526
2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171866
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785930
2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
CID 61071648
(3aR,6aS)-5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133109859
N-[[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730449

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine (CID 65445831) is [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine is COc1ccc(CCn2nc(C)c(CN)c2C)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is QKADEIMLEYUTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-15(10-16)12(2)18(17-11)9-8-13-4-6-14(19-3)7-5-13/h4-7H,8-10,16H2,1-3H3.
What are the key properties of [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine?
[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 65445831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).