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

C10H10FN3S — CID 117319576

IUPAC4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCSc1ccc(-c2cn[nH]c2N)c(F)c1
InChIInChI=1S/C10H10FN3S/c1-15-6-2-3-7(9(11)4-6)8-5-13-14-10(8)12/h2-5H,1H3,(H3,12,13,14)
InChIKeyFHJKISWKNKZUIE-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.52
Rot. Bonds2

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

4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine (PubChem CID 117319576) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
PubChem CID117319576
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCSc1ccc(-c2cn[nH]c2N)c(F)c1
InChIInChI=1S/C10H10FN3S/c1-15-6-2-3-7(9(11)4-6)8-5-13-14-10(8)12/h2-5H,1H3,(H3,12,13,14)
InChIKeyFHJKISWKNKZUIE-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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Related Compounds

4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395
3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol
CID 117298182
6-(2-fluoro-4-methylsulfanylphenyl)pyridin-3-amine
CID 141216984
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazol-5-amine
CID 117437328
4-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117311888
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117354762
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
CID 117428214
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine (CID 117319576) is 4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine is CSc1ccc(-c2cn[nH]c2N)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The InChIKey is FHJKISWKNKZUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-15-6-2-3-7(9(11)4-6)8-5-13-14-10(8)12/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
4-(2-fluoro-4-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-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117319576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).