2-[(2-methylpyrazol-3-yl)methoxy]aniline

C11H13N3O — CID 50896796

IUPAC2-[(2-methylpyrazol-3-yl)methoxy]aniline
SMILESCn1nccc1COc1ccccc1N
InChIInChI=1S/C11H13N3O/c1-14-9(6-7-13-14)8-15-11-5-3-2-4-10(11)12/h2-7H,8,12H2,1H3
InChIKeyNTMYDFHFWQFTJT-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.58
Rot. Bonds3

About 2-[(2-methylpyrazol-3-yl)methoxy]aniline

2-[(2-methylpyrazol-3-yl)methoxy]aniline (PubChem CID 50896796) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methoxy]aniline
PubChem CID50896796
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[(2-methylpyrazol-3-yl)methoxy]aniline
SMILESCn1nccc1COc1ccccc1N
InChIInChI=1S/C11H13N3O/c1-14-9(6-7-13-14)8-15-11-5-3-2-4-10(11)12/h2-7H,8,12H2,1H3
InChIKeyNTMYDFHFWQFTJT-UHFFFAOYSA-N
XLogP1.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methoxyphenyl)-1H-pyrazole
CID 12238131
N-Ethyl-5-(1-phenoxyethyl)-1H-pyrazole-1-carboxamide
CID 2764678
1,5-Dimethyl-3-(phenoxymethyl)pyrazole
CID 82076625
N-(2-ethoxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508661
1,3-Dimethyl-5-(phenoxymethyl)pyrazole
CID 65864346
5-(1-phenoxyethyl)-1H-pyrazole
CID 4364910
4-((1-methyl-1H-pyrazol-4-yl)oxy)aniline
CID 69194299
1-(2-methoxyphenyl)-1H-pyrazol-4-ol
CID 117124800
1-methyl-3-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)-1H-pyrazole
CID 137951739
N-(4-ethoxyphenyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026432
2-methoxy-N-{3-[(2-methylprop-2-en-1-yl)oxy]benzyl}-1-(1-methyl-1H-pyrazol-5-yl)ethanamine
CID 50954213
3-(2-Ethoxy-4-fluorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 51085394

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methoxy]aniline?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methoxy]aniline (CID 50896796) is 2-[(2-methylpyrazol-3-yl)methoxy]aniline.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methoxy]aniline?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methoxy]aniline is Cn1nccc1COc1ccccc1N.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methoxy]aniline?
The InChIKey is NTMYDFHFWQFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-9(6-7-13-14)8-15-11-5-3-2-4-10(11)12/h2-7H,8,12H2,1H3.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methoxy]aniline?
2-[(2-methylpyrazol-3-yl)methoxy]aniline has a molecular weight of 203.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methoxy]aniline is sourced from PubChem (CID 50896796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).