5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine

C10H9ClFN3S — CID 117397849

IUPAC5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine
SMILESCSc1c(F)cc(-c2cc(N)n[nH]2)cc1Cl
InChIInChI=1S/C10H9ClFN3S/c1-16-10-6(11)2-5(3-7(10)12)8-4-9(13)15-14-8/h2-4H,1H3,(H3,13,14,15)
InChIKeyXLZRVNXSXXOQDV-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.17
Rot. Bonds2

About 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine

5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine (PubChem CID 117397849) has the molecular formula C10H9ClFN3S and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine
PubChem CID117397849
Molecular FormulaC10H9ClFN3S
Molecular Weight257.72 g/mol
Exact Mass257.02
IUPAC Name5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine
SMILESCSc1c(F)cc(-c2cc(N)n[nH]2)cc1Cl
InChIInChI=1S/C10H9ClFN3S/c1-16-10-6(11)2-5(3-7(10)12)8-4-9(13)15-14-8/h2-4H,1H3,(H3,13,14,15)
InChIKeyXLZRVNXSXXOQDV-UHFFFAOYSA-N
XLogP3.17
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 63186082
5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine
CID 117485866
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-hydroxybenzonitrile
CID 137013108
methyl 5-(3-amino-1H-pyrazol-5-yl)-3-fluoro-2-methylbenzoate
CID 117375479
3-chloro-5-fluoro-4-methylsulfanylphenol
CID 84664407
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
5-(3-amino-1H-pyrazol-5-yl)-7-fluoro-1,3-dihydroindol-2-one
CID 117335864
5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-amine
CID 67188640
5-(3-amino-1H-pyrazol-5-yl)-2-fluorobenzonitrile
CID 83396217
5-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117494004
5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
CID 115111633

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine (CID 117397849) is 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine is CSc1c(F)cc(-c2cc(N)n[nH]2)cc1Cl.
What is the InChIKey of 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine?
The InChIKey is XLZRVNXSXXOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3S/c1-16-10-6(11)2-5(3-7(10)12)8-4-9(13)15-14-8/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine?
5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine has a molecular weight of 257.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117397849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).