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

C12H13ClFN3 — CID 102814421

IUPAC[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine
SMILESCc1nn(-c2cc(F)cc(CN)c2)c(C)c1Cl
InChIInChI=1S/C12H13ClFN3/c1-7-12(13)8(2)17(16-7)11-4-9(6-15)3-10(14)5-11/h3-5H,6,15H2,1-2H3
InChIKeyAPFGYJHEBYEHLL-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.74
Rot. Bonds2

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

[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine (PubChem CID 102814421) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine
PubChem CID102814421
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine
SMILESCc1nn(-c2cc(F)cc(CN)c2)c(C)c1Cl
InChIInChI=1S/C12H13ClFN3/c1-7-12(13)8(2)17(16-7)11-4-9(6-15)3-10(14)5-11/h3-5H,6,15H2,1-2H3
InChIKeyAPFGYJHEBYEHLL-UHFFFAOYSA-N
XLogP2.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]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

[3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine
CID 102814423
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-fluoroaniline
CID 112646319
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 62130850
[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine
CID 102814406
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]methanamine
CID 19627381
(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
4-chloro-1-[4-(chloromethyl)-3-methylphenyl]-3,5-dimethylpyrazole
CID 55038842
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 63816766
[3-(3,3-dimethylpyrrolidin-1-yl)-5-fluorophenyl]methanamine
CID 102814167
[1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinolin-3-yl]methanamine
CID 62293219
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyridin-3-amine
CID 79176068

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine (CID 102814421) is [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine is Cc1nn(-c2cc(F)cc(CN)c2)c(C)c1Cl.
What is the InChIKey of [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine?
The InChIKey is APFGYJHEBYEHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-7-12(13)8(2)17(16-7)11-4-9(6-15)3-10(14)5-11/h3-5H,6,15H2,1-2H3.
What are the key properties of [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine?
[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine has a molecular weight of 253.71 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 102814421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).