[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine

C12H14FN3O — CID 117123859

IUPAC[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
SMILESCOc1c(CN)c(C)nn1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-8-11(7-14)12(17-2)16(15-8)10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3
InChIKeyCBHYTPKGDZIRIP-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.79
Rot. Bonds3

About [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine

[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine (PubChem CID 117123859) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
PubChem CID117123859
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine
SMILESCOc1c(CN)c(C)nn1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-8-11(7-14)12(17-2)16(15-8)10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3
InChIKeyCBHYTPKGDZIRIP-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine (CID 117123859) is [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine is COc1c(CN)c(C)nn1-c1cccc(F)c1.
What is the InChIKey of [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine?
The InChIKey is CBHYTPKGDZIRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-11(7-14)12(17-2)16(15-8)10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3.
What are the key properties of [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine?
[1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-5-methoxy-3-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 117123859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).