4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine

C12H15N3O — CID 82024382

IUPAC4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
SMILESCOc1cccc(Cc2cnn(C)c2N)c1
InChIInChI=1S/C12H15N3O/c1-15-12(13)10(8-14-15)6-9-4-3-5-11(7-9)16-2/h3-5,7-8H,6,13H2,1-2H3
InChIKeyFGIMRIUYQUFDNE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds3

About 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine

4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine (PubChem CID 82024382) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
PubChem CID82024382
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
SMILESCOc1cccc(Cc2cnn(C)c2N)c1
InChIInChI=1S/C12H15N3O/c1-15-12(13)10(8-14-15)6-9-4-3-5-11(7-9)16-2/h3-5,7-8H,6,13H2,1-2H3
InChIKeyFGIMRIUYQUFDNE-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210316
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
[2-[(3-methoxyphenyl)methyl]phenyl]-trimethylsilane
CID 171716633
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
4-(methoxymethyl)-1-methylpyrazol-5-amine
CID 84648635
5-amino-4-[4-[(3-methoxyphenyl)methyl]phenyl]pyrazole-1-carboxamide
CID 22408169
2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 122166370
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
3-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141979
1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine (CID 82024382) is 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine is COc1cccc(Cc2cnn(C)c2N)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is FGIMRIUYQUFDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-12(13)10(8-14-15)6-9-4-3-5-11(7-9)16-2/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine?
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 82024382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).