1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine

C19H20FN3S — CID 23174225

IUPAC1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine
SMILESCSc1ccc(-c2cc(CN(C)C)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN3S/c1-22(2)13-16-12-19(14-4-10-18(24-3)11-5-14)23(21-16)17-8-6-15(20)7-9-17/h4-12H,13H2,1-3H3
InChIKeyPLYCLZSSJVZKBG-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.46
Rot. Bonds5

About 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine

1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 23174225) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine
PubChem CID23174225
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC Name1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine
SMILESCSc1ccc(-c2cc(CN(C)C)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FN3S/c1-22(2)13-16-12-19(14-4-10-18(24-3)11-5-14)23(21-16)17-8-6-15(20)7-9-17/h4-12H,13H2,1-3H3
InChIKeyPLYCLZSSJVZKBG-UHFFFAOYSA-N
XLogP4.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
CID 10781681
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
CID 10830058
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carbonitrile
CID 10781262
1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
CID 174579266
1-(4-methylphenyl)-6-(4-methylsulfanylphenyl)pyridazin-4-one
CID 142673824
S-[4-[5-(4-aminophenyl)-3-(3-methylbutyl)pyrazol-1-yl]phenyl]thiohydroxylamine
CID 177190553
methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate
CID 22014681
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
3-(bromomethyl)-1-(4-methylphenyl)-5-phenylpyrazole
CID 11404650
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine (CID 23174225) is 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine is CSc1ccc(-c2cc(CN(C)C)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is PLYCLZSSJVZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3S/c1-22(2)13-16-12-19(14-4-10-18(24-3)11-5-14)23(21-16)17-8-6-15(20)7-9-17/h4-12H,13H2,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine?
1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 341.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 23174225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).