[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine

C12H15N3O — CID 39095734

IUPAC[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
SMILESCOc1ccccc1-c1nn(C)cc1CN
InChIInChI=1S/C12H15N3O/c1-15-8-9(7-13)12(14-15)10-5-3-4-6-11(10)16-2/h3-6,8H,7,13H2,1-2H3
InChIKeyVQXFDCZJYJIBJF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.55
Rot. Bonds3

About [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine

[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 39095734) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
PubChem CID39095734
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine
SMILESCOc1ccccc1-c1nn(C)cc1CN
InChIInChI=1S/C12H15N3O/c1-15-8-9(7-13)12(14-15)10-5-3-4-6-11(10)16-2/h3-6,8H,7,13H2,1-2H3
InChIKeyVQXFDCZJYJIBJF-UHFFFAOYSA-N
XLogP1.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-3-[2-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanamine
CID 79484440
[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485433
[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
CID 82272012
[5-(1,3-dimethylpyrazol-4-yl)-2-methoxyphenyl]methanamine
CID 66009097
[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199536
[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol
CID 136603783
[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66008481
1-benzyl-4-chloro-3,5-bis(2-methoxyphenyl)pyrazole
CID 19587127
5-(2-methoxyphenyl)-3-propylimidazol-4-amine
CID 62019226
[4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82282609

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine (CID 39095734) is [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine is COc1ccccc1-c1nn(C)cc1CN.
What is the InChIKey of [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is VQXFDCZJYJIBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-8-9(7-13)12(14-15)10-5-3-4-6-11(10)16-2/h3-6,8H,7,13H2,1-2H3.
What are the key properties of [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine?
[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 39095734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).