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

C14H19N3O2 — CID 28966353

IUPAC[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCOc1ccc(COc2c(CN)c(C)nn2C)cc1
InChIInChI=1S/C14H19N3O2/c1-10-13(8-15)14(17(2)16-10)19-9-11-4-6-12(18-3)7-5-11/h4-7H,8-9,15H2,1-3H3
InChIKeySBQYXFFMAIKTCC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.77
Rot. Bonds5

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

[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 28966353) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID28966353
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCOc1ccc(COc2c(CN)c(C)nn2C)cc1
InChIInChI=1S/C14H19N3O2/c1-10-13(8-15)14(17(2)16-10)19-9-11-4-6-12(18-3)7-5-11/h4-7H,8-9,15H2,1-3H3
InChIKeySBQYXFFMAIKTCC-UHFFFAOYSA-N
XLogP1.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine with MolForge

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Related Compounds

[5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28965499
4-(chloromethyl)-1,3-dimethyl-5-phenylmethoxypyrazole
CID 28964580
[5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 104706400
[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 65445831
[3-[(4-methoxyphenyl)methoxy]-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096426
5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
CID 141381468
5-[(4-methoxyphenyl)methoxy]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 1478632
[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475262
[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 107663593
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
5-[2,4-dichloro-5-[(4-methoxyphenyl)methoxy]phenoxy]-4-ethenyl-1,3-dimethylpyrazole
CID 68710313
2-[5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethylpyrazol-4-yl]ethanamine
CID 63803142

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine (CID 28966353) is [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine is COc1ccc(COc2c(CN)c(C)nn2C)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is SBQYXFFMAIKTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-13(8-15)14(17(2)16-10)19-9-11-4-6-12(18-3)7-5-11/h4-7H,8-9,15H2,1-3H3.
What are the key properties of [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine?
[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 28966353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).