3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol

C10H9F2N3O — CID 117322755

IUPAC3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
SMILESCn1ncc(-c2c(F)ccc(O)c2F)c1N
InChIInChI=1S/C10H9F2N3O/c1-15-10(13)5(4-14-15)8-6(11)2-3-7(16)9(8)12/h2-4,16H,13H2,1H3
InChIKeyXTAJQEVOBGUPAH-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.65
Rot. Bonds1

About 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol

3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol (PubChem CID 117322755) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
PubChem CID117322755
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
SMILESCn1ncc(-c2c(F)ccc(O)c2F)c1N
InChIInChI=1S/C10H9F2N3O/c1-15-10(13)5(4-14-15)8-6(11)2-3-7(16)9(8)12/h2-4,16H,13H2,1H3
InChIKeyXTAJQEVOBGUPAH-UHFFFAOYSA-N
XLogP1.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine
CID 115112497
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol
CID 117385998
2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
CID 117291763
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol?
The IUPAC name of 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol (CID 117322755) is 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol is Cn1ncc(-c2c(F)ccc(O)c2F)c1N.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol?
The InChIKey is XTAJQEVOBGUPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-15-10(13)5(4-14-15)8-6(11)2-3-7(16)9(8)12/h2-4,16H,13H2,1H3.
What are the key properties of 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol?
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol has a molecular weight of 225.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol is sourced from PubChem (CID 117322755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).