[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine

C12H14FN3O — CID 28966246

IUPAC[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1CN
InChIInChI=1S/C12H14FN3O/c1-8-11(7-14)12(16(2)15-8)17-10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3
InChIKeyCIURRBQJRPUJOP-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.12
Rot. Bonds3

About [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine

[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine (PubChem CID 28966246) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
PubChem CID28966246
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
SMILESCc1nn(C)c(Oc2cccc(F)c2)c1CN
InChIInChI=1S/C12H14FN3O/c1-8-11(7-14)12(16(2)15-8)17-10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3
InChIKeyCIURRBQJRPUJOP-UHFFFAOYSA-N
XLogP2.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine 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

N-[[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63072327
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
CID 71934131
5-(3-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028842
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
CID 117123859
[5-[(3-methoxyphenyl)methoxy]-1,3-dimethylpyrazol-4-yl]methanamine
CID 28965499
2-[5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 82726959
4-(bromomethyl)-5-(3,4-difluorophenoxy)-1,3-dimethylpyrazole
CID 107087762
[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 107663593
4-(bromomethyl)-5-(3-ethylphenoxy)-1,3-dimethylpyrazole
CID 107086346
[5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 104706400
5-[3-(aminomethyl)phenoxy]-1,3-dimethylpyrazole-4-carbonitrile
CID 106485851
N-[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]pyridine-2-carboxamide
CID 71934124

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine (CID 28966246) is [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine is Cc1nn(C)c(Oc2cccc(F)c2)c1CN.
What is the InChIKey of [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine?
The InChIKey is CIURRBQJRPUJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-11(7-14)12(16(2)15-8)17-10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3.
What are the key properties of [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine?
[5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 28966246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).