2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine

C14H18ClN3S — CID 114792481

IUPAC2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(SCc2ccc(Cl)cc2)c1CCN
InChIInChI=1S/C14H18ClN3S/c1-10-13(7-8-16)14(18(2)17-10)19-9-11-3-5-12(15)6-4-11/h3-6H,7-9,16H2,1-2H3
InChIKeyAIOUZECEKOSLFB-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.18
Rot. Bonds5

About 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine

2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine (PubChem CID 114792481) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
PubChem CID114792481
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(SCc2ccc(Cl)cc2)c1CCN
InChIInChI=1S/C14H18ClN3S/c1-10-13(7-8-16)14(18(2)17-10)19-9-11-3-5-12(15)6-4-11/h3-6H,7-9,16H2,1-2H3
InChIKeyAIOUZECEKOSLFB-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]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

(5-benzylsulfanyl-1,3-dimethylpyrazol-4-yl)methanamine
CID 63758578
2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 170887777
2-(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)ethanamine
CID 63819797
N-[(5-benzylsulfanyl-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 63806798
N-[(5-benzylsulfanyl-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 63804706
2-[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine
CID 102926248
2-[1,3-dimethyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)pyrazol-4-yl]ethanamine
CID 63820113
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
5-[(4-chlorophenyl)methylsulfanyl]-3-methyl-1,3,4-thiadiazole-2-thione
CID 30470106
2-[5-(4-fluorophenyl)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 105492843
2-[5-[(4-chlorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481043
1-(4-chlorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28738492

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine (CID 114792481) is 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine is Cc1nn(C)c(SCc2ccc(Cl)cc2)c1CCN.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine?
The InChIKey is AIOUZECEKOSLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-10-13(7-8-16)14(18(2)17-10)19-9-11-3-5-12(15)6-4-11/h3-6H,7-9,16H2,1-2H3.
What are the key properties of 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine?
2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine has a molecular weight of 295.84 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methylsulfanyl]-1,3-dimethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 114792481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).