2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline

C12H15N3O — CID 82471882

IUPAC2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline
SMILESCOc1ccc(Cc2cc(C)[nH]n2)cc1N
InChIInChI=1S/C12H15N3O/c1-8-5-10(15-14-8)6-9-3-4-12(16-2)11(13)7-9/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyMCRWNBGWSCRZHZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.90
Rot. Bonds3

About 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline

2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline (PubChem CID 82471882) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline
PubChem CID82471882
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline
SMILESCOc1ccc(Cc2cc(C)[nH]n2)cc1N
InChIInChI=1S/C12H15N3O/c1-8-5-10(15-14-8)6-9-3-4-12(16-2)11(13)7-9/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyMCRWNBGWSCRZHZ-UHFFFAOYSA-N
XLogP1.90
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
5-[(3-amino-4-methoxyphenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
CID 82476663
5-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-methoxyaniline
CID 82478547
2-methoxy-5-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 82476204
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methoxyaniline
CID 82475282
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
5-[(5-ethyl-2-methoxyphenyl)methyl]-1H-pyrazol-3-amine
CID 82082137
[5-[(4-methoxy-3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 82475276
5-[(3-amino-4-methoxyphenyl)methyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82486384
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61225934

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline (CID 82471882) is 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline is COc1ccc(Cc2cc(C)[nH]n2)cc1N.
What is the InChIKey of 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline?
The InChIKey is MCRWNBGWSCRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-5-10(15-14-8)6-9-3-4-12(16-2)11(13)7-9/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline?
2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(5-methyl-1H-pyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 82471882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).