4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine

C10H10FN3S — CID 117319572

IUPAC4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCSc1c(F)cccc1-c1cn[nH]c1N
InChIInChI=1S/C10H10FN3S/c1-15-9-6(3-2-4-8(9)11)7-5-13-14-10(7)12/h2-5H,1H3,(H3,12,13,14)
InChIKeyYZNGXVBHNJTKST-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.52
Rot. Bonds2

About 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine

4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine (PubChem CID 117319572) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine
PubChem CID117319572
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCSc1c(F)cccc1-c1cn[nH]c1N
InChIInChI=1S/C10H10FN3S/c1-15-9-6(3-2-4-8(9)11)7-5-13-14-10(7)12/h2-5H,1H3,(H3,12,13,14)
InChIKeyYZNGXVBHNJTKST-UHFFFAOYSA-N
XLogP2.52
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine (CID 117319572) is 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine is CSc1c(F)cccc1-c1cn[nH]c1N.
What is the InChIKey of 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The InChIKey is YZNGXVBHNJTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-15-9-6(3-2-4-8(9)11)7-5-13-14-10(7)12/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine?
4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine has a molecular weight of 223.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylsulfanylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117319572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).