4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline

C12H15N3O — CID 19626857

IUPAC4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline
SMILESCc1c(COc2ccc(N)cc2)cnn1C
InChIInChI=1S/C12H15N3O/c1-9-10(7-14-15(9)2)8-16-12-5-3-11(13)4-6-12/h3-7H,8,13H2,1-2H3
InChIKeyRVICEZPPVOGFON-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.89
Rot. Bonds3

About 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline

4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline (PubChem CID 19626857) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline
PubChem CID19626857
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline
SMILESCc1c(COc2ccc(N)cc2)cnn1C
InChIInChI=1S/C12H15N3O/c1-9-10(7-14-15(9)2)8-16-12-5-3-11(13)4-6-12/h3-7H,8,13H2,1-2H3
InChIKeyRVICEZPPVOGFON-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-((1,3-Dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylidene)hydroxylamine
CID 682832
N-{4-[2-hydroxy-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 5298752
N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
1-(4-Methoxyphenyl)-1H-pyrazole
CID 12238131
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
3-(4-Butoxy-phenyl)-1-methyl-2H-pyrazol-1-ium
CID 44366980
1-(4-Methoxyphenyl)-4-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 49862197
1-[3-[4-(2-Methylpyrazol-3-yl)phenoxy]propyl]piperidine
CID 56661468
N-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6464754
N-{4-[2-hydroxy-3-(1H-pyrazol-1-yl)propoxy]phenyl}acetamide
CID 6499769
1,5-dimethyl-N-(4-phenoxyphenyl)-1H-pyrazole-4-carboxamide
CID 16614321

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline?
The IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline (CID 19626857) is 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline is Cc1c(COc2ccc(N)cc2)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline?
The InChIKey is RVICEZPPVOGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-10(7-14-15(9)2)8-16-12-5-3-11(13)4-6-12/h3-7H,8,13H2,1-2H3.
What are the key properties of 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline?
4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline has a molecular weight of 217.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-4-yl)methoxy]aniline is sourced from PubChem (CID 19626857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).