4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine

C10H9F2N3S — CID 117354763

IUPAC4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCSc1c(F)cc(-c2cn[nH]c2N)cc1F
InChIInChI=1S/C10H9F2N3S/c1-16-9-7(11)2-5(3-8(9)12)6-4-14-15-10(6)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyKVAYRWNPXJYZTL-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.66
Rot. Bonds2

About 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine

4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine (PubChem CID 117354763) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
PubChem CID117354763
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCSc1c(F)cc(-c2cn[nH]c2N)cc1F
InChIInChI=1S/C10H9F2N3S/c1-16-9-7(11)2-5(3-8(9)12)6-4-14-15-10(6)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyKVAYRWNPXJYZTL-UHFFFAOYSA-N
XLogP2.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine (CID 117354763) is 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine is CSc1c(F)cc(-c2cn[nH]c2N)cc1F.
What is the InChIKey of 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The InChIKey is KVAYRWNPXJYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-16-9-7(11)2-5(3-8(9)12)6-4-14-15-10(6)13/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine?
4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine has a molecular weight of 241.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117354763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).