4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine

C10H9F2N3S — CID 117354762

IUPAC4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCSc1ccc(F)c(-c2cn[nH]c2N)c1F
InChIInChI=1S/C10H9F2N3S/c1-16-7-3-2-6(11)8(9(7)12)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyLIPVNQPSGKEMRL-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.66
Rot. Bonds2

About 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine

4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine (PubChem CID 117354762) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine
PubChem CID117354762
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine
SMILESCSc1ccc(F)c(-c2cn[nH]c2N)c1F
InChIInChI=1S/C10H9F2N3S/c1-16-7-3-2-6(11)8(9(7)12)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15)
InChIKeyLIPVNQPSGKEMRL-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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Related Compounds

4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
4-(2,6-difluoro-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117435379
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
4-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazol-5-amine
CID 117372261
4-(2-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117319576
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5-difluorophenol
CID 117468094
4-(3,5-difluoro-4-methylphenyl)-1H-pyrazol-5-amine
CID 117298238
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
4-(2-fluoro-4,5-dimethylthiophen-3-yl)-1H-pyrazol-5-amine
CID 70393584
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-1H-pyrazol-5-amine
CID 117375445

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine (CID 117354762) is 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine is CSc1ccc(F)c(-c2cn[nH]c2N)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine?
The InChIKey is LIPVNQPSGKEMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-16-7-3-2-6(11)8(9(7)12)5-4-14-15-10(5)13/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 4-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine?
4-(2,6-difluoro-3-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-(2,6-difluoro-3-methylsulfanylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117354762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).