[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine

C14H18FN3 — CID 63289261

IUPAC[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCc1nn(Cc2ccc(F)cc2CN)c(C)c1C
InChIInChI=1S/C14H18FN3/c1-9-10(2)17-18(11(9)3)8-12-4-5-14(15)6-13(12)7-16/h4-6H,7-8,16H2,1-3H3
InChIKeyAJXVOZYJMKQSPH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.45
Rot. Bonds3

About [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine

[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine (PubChem CID 63289261) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine
PubChem CID63289261
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCc1nn(Cc2ccc(F)cc2CN)c(C)c1C
InChIInChI=1S/C14H18FN3/c1-9-10(2)17-18(11(9)3)8-12-4-5-14(15)6-13(12)7-16/h4-6H,7-8,16H2,1-3H3
InChIKeyAJXVOZYJMKQSPH-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]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

4-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 64763952
4-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzonitrile
CID 103864159
2-[[2-(aminomethyl)-4-fluorophenyl]methyl]-6-methylpyridazin-3-one
CID 63289759
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62728744
[3-bromo-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 102772156
3-bromo-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 61226128
[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
CID 64766128
3-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 61226960
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
5-chloro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 62101913
2-fluoro-3-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
CID 107347654
4-bromo-1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128749

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine (CID 63289261) is [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine is Cc1nn(Cc2ccc(F)cc2CN)c(C)c1C.
What is the InChIKey of [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is AJXVOZYJMKQSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9-10(2)17-18(11(9)3)8-12-4-5-14(15)6-13(12)7-16/h4-6H,7-8,16H2,1-3H3.
What are the key properties of [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine?
[5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 247.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 63289261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).