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

C13H15ClFN3 — CID 78937665

IUPAC(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
SMILESCc1nn(-c2ccc([C@H](C)N)cc2F)c(C)c1Cl
InChIInChI=1S/C13H15ClFN3/c1-7(16)10-4-5-12(11(15)6-10)18-9(3)13(14)8(2)17-18/h4-7H,16H2,1-3H3/t7-/m0/s1
InChIKeyDRGSJLIWHLLVKA-ZETCQYMHSA-N
MW267.74 g/mol
LogP3.30
Rot. Bonds2

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

(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 78937665) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
PubChem CID78937665
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
SMILESCc1nn(-c2ccc([C@H](C)N)cc2F)c(C)c1Cl
InChIInChI=1S/C13H15ClFN3/c1-7(16)10-4-5-12(11(15)6-10)18-9(3)13(14)8(2)17-18/h4-7H,16H2,1-3H3/t7-/m0/s1
InChIKeyDRGSJLIWHLLVKA-ZETCQYMHSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 62130026
1-[3-bromo-4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 55130541
(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 55189262
(1S)-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 114058848
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 55038602
1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 62488667
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
4-chloro-1-(5-chloro-2-methylphenyl)-3,5-dimethylpyrazole
CID 82088582
5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844627
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071540
(1R)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-nitrophenyl]ethanol
CID 63372268

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine (CID 78937665) is (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine is Cc1nn(-c2ccc([C@H](C)N)cc2F)c(C)c1Cl.
What is the InChIKey of (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is DRGSJLIWHLLVKA-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-7(16)10-4-5-12(11(15)6-10)18-9(3)13(14)8(2)17-18/h4-7H,16H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 267.74 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 78937665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).