1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine

C15H20FN3 — CID 66020423

IUPAC1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCCCn1cc(-c2ccc(F)c(CNC)c2)c(C)n1
InChIInChI=1S/C15H20FN3/c1-4-7-19-10-14(11(2)18-19)12-5-6-15(16)13(8-12)9-17-3/h5-6,8,10,17H,4,7,9H2,1-3H3
InChIKeyHZIGFKPJKDYING-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.13
Rot. Bonds5

About 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine

1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine (PubChem CID 66020423) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
PubChem CID66020423
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCCCn1cc(-c2ccc(F)c(CNC)c2)c(C)n1
InChIInChI=1S/C15H20FN3/c1-4-7-19-10-14(11(2)18-19)12-5-6-15(16)13(8-12)9-17-3/h5-6,8,10,17H,4,7,9H2,1-3H3
InChIKeyHZIGFKPJKDYING-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine 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-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine (CID 66020423) is 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine is CCCn1cc(-c2ccc(F)c(CNC)c2)c(C)n1.
What is the InChIKey of 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is HZIGFKPJKDYING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-7-19-10-14(11(2)18-19)12-5-6-15(16)13(8-12)9-17-3/h5-6,8,10,17H,4,7,9H2,1-3H3.
What are the key properties of 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine?
1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66020423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).