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

C14H19N3O2 — CID 28965499

IUPAC[5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCOc1cccc(COc2c(CN)c(C)nn2C)c1
InChIInChI=1S/C14H19N3O2/c1-10-13(8-15)14(17(2)16-10)19-9-11-5-4-6-12(7-11)18-3/h4-7H,8-9,15H2,1-3H3
InChIKeyPBINGKAGFBLYLB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.77
Rot. Bonds5

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

[5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 28965499) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID28965499
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCOc1cccc(COc2c(CN)c(C)nn2C)c1
InChIInChI=1S/C14H19N3O2/c1-10-13(8-15)14(17(2)16-10)19-9-11-5-4-6-12(7-11)18-3/h4-7H,8-9,15H2,1-3H3
InChIKeyPBINGKAGFBLYLB-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

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Related Compounds

[5-[(4-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966353
1-ethyl-5-[(3-methoxyphenyl)methoxy]-3-methylpyrazol-4-amine
CID 66012494
4-(chloromethyl)-1,3-dimethyl-5-phenylmethoxypyrazole
CID 28964580
[5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 104706400
[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 28966246
[5-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methanamine
CID 79775923
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine
CID 82828534
2-(3-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 110731154
[5-[2-(3-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662789
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine (CID 28965499) is [5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine is COc1cccc(COc2c(CN)c(C)nn2C)c1.
What is the InChIKey of [5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is PBINGKAGFBLYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-13(8-15)14(17(2)16-10)19-9-11-5-4-6-12(7-11)18-3/h4-7H,8-9,15H2,1-3H3.
What are the key properties of [5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine?
[5-[(3-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-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 28965499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).