4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol

C11H12FN3OS — CID 117385998

IUPAC4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(-c2cnn(C)c2N)c1F
InChIInChI=1S/C11H12FN3OS/c1-15-11(13)7(5-14-15)6-3-4-8(16)10(17-2)9(6)12/h3-5,16H,13H2,1-2H3
InChIKeyOZTXKLWDCKEMQA-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.24
Rot. Bonds2

About 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol

4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol (PubChem CID 117385998) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol
PubChem CID117385998
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol
SMILESCSc1c(O)ccc(-c2cnn(C)c2N)c1F
InChIInChI=1S/C11H12FN3OS/c1-15-11(13)7(5-14-15)6-3-4-8(16)10(17-2)9(6)12/h3-5,16H,13H2,1-2H3
InChIKeyOZTXKLWDCKEMQA-UHFFFAOYSA-N
XLogP2.24
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol
CID 117342713
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
CID 117291763
2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol
CID 117350179
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
4-(3-methoxy-2-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376786
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117482175
4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol (CID 117385998) is 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol is CSc1c(O)ccc(-c2cnn(C)c2N)c1F.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol?
The InChIKey is OZTXKLWDCKEMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-15-11(13)7(5-14-15)6-3-4-8(16)10(17-2)9(6)12/h3-5,16H,13H2,1-2H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol?
4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol has a molecular weight of 253.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol is sourced from PubChem (CID 117385998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).