4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline

C12H14FN3O — CID 134456210

IUPAC4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline
SMILESCOc1c(N)ccc(-c2nn(C)cc2C)c1F
InChIInChI=1S/C12H14FN3O/c1-7-6-16(2)15-11(7)8-4-5-9(14)12(17-3)10(8)13/h4-6H,14H2,1-3H3
InChIKeyHQZROHOBERICAR-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.13
Rot. Bonds2

About 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline

4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline (PubChem CID 134456210) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline
PubChem CID134456210
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline
SMILESCOc1c(N)ccc(-c2nn(C)cc2C)c1F
InChIInChI=1S/C12H14FN3O/c1-7-6-16(2)15-11(7)8-4-5-9(14)12(17-3)10(8)13/h4-6H,14H2,1-3H3
InChIKeyHQZROHOBERICAR-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methoxy-2-butanamine
CID 16189801
1-(2,2-difluoroethyl)-N-(3-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247615
1-[2-[5-(4-Fluorophenyl)-1-methylpyrazol-4-yl]ethyl]-4-(2-methoxyphenyl)piperazine
CID 44214282
1-(3-methoxy-2-(1H-pyrazol-1-yl)phenyl)methanamine dihydrochloride
CID 167742382
2-methoxy-6-(1H-pyrazol-5-yl)aniline
CID 135080512
1-(2-Methoxyphenyl)-3-phenyl-1H-pyrazole
CID 66016333
2-[(1,3-dimethyl-1H-pyrazol-4-yl)methoxy]aniline
CID 19626907
4-((1,5-Dimethyl-1H-pyrazol-4-yl)methoxy)-3-fluoroaniline
CID 19627213
1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-methoxybenzyl)ethanamine
CID 45209964
2-(difluoromethoxy)-5-fluoro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 71851887
1-[2-(4-Fluorophenyl)-6-methoxyphenyl]pyrazole
CID 102031811

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline?
The IUPAC name of 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline (CID 134456210) is 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline.
What is the SMILES notation for 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline?
The canonical SMILES for 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline is COc1c(N)ccc(-c2nn(C)cc2C)c1F.
What is the InChIKey of 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline?
The InChIKey is HQZROHOBERICAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-6-16(2)15-11(7)8-4-5-9(14)12(17-3)10(8)13/h4-6H,14H2,1-3H3.
What are the key properties of 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline?
4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline has a molecular weight of 235.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline is sourced from PubChem (CID 134456210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).