4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline

C12H14FN3O — CID 134456179

IUPAC4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline
SMILESCOc1c(N)ccc(-c2cc(C)n(C)n2)c1F
InChIInChI=1S/C12H14FN3O/c1-7-6-10(15-16(7)2)8-4-5-9(14)12(17-3)11(8)13/h4-6H,14H2,1-3H3
InChIKeyATFKDLAJFFLVQA-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.13
Rot. Bonds2

About 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline

4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline (PubChem CID 134456179) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline
PubChem CID134456179
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline
SMILESCOc1c(N)ccc(-c2cc(C)n(C)n2)c1F
InChIInChI=1S/C12H14FN3O/c1-7-6-10(15-16(7)2)8-4-5-9(14)12(17-3)11(8)13/h4-6H,14H2,1-3H3
InChIKeyATFKDLAJFFLVQA-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'}

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Related Compounds

5-(3-Methoxyphenyl)-2-methylpyrazol-3-amine
CID 33783221
2-(3-Methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814124
5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
CID 44451823
5-Methoxy-1,3-dimethylindazole
CID 58817520
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 17455110
3,5-bis(4-fluorophenyl)-1-(3-methoxybenzyl)-1H-pyrazole
CID 19587601
3-(3-Methoxyphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole
CID 49760549
5-(Difluoromethoxy)-3-(2-fluorophenyl)-1-methylpyrazole
CID 17901718
4-[1-Ethyl-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 18187819
N-[4-methyl-2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyphenyl]propanamide
CID 19067677
4-(4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-5-fluoro-2-methoxy-benzeneamine
CID 19436747
4-chloro-3-(4-amino-2-fluoro-5-methoxyphenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 19436762

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline?
The IUPAC name of 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline (CID 134456179) is 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline?
The canonical SMILES for 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline is COc1c(N)ccc(-c2cc(C)n(C)n2)c1F.
What is the InChIKey of 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline?
The InChIKey is ATFKDLAJFFLVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-6-10(15-16(7)2)8-4-5-9(14)12(17-3)11(8)13/h4-6H,14H2,1-3H3.
What are the key properties of 4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline?
4-(1,5-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-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyaniline is sourced from PubChem (CID 134456179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).