2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol

C11H11F2N3O — CID 79892030

IUPAC2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1ccc(NCc2cc(F)c(O)c(F)c2)n1
InChIInChI=1S/C11H11F2N3O/c1-16-3-2-10(15-16)14-6-7-4-8(12)11(17)9(13)5-7/h2-5,17H,6H2,1H3,(H,14,15)
InChIKeyRGKLZNXOKIKQRW-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.02
Rot. Bonds3

About 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol

2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (PubChem CID 79892030) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
PubChem CID79892030
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1ccc(NCc2cc(F)c(O)c(F)c2)n1
InChIInChI=1S/C11H11F2N3O/c1-16-3-2-10(15-16)14-6-7-4-8(12)11(17)9(13)5-7/h2-5,17H,6H2,1H3,(H,14,15)
InChIKeyRGKLZNXOKIKQRW-UHFFFAOYSA-N
XLogP2.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (CID 79892030) is 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is Cn1ccc(NCc2cc(F)c(O)c(F)c2)n1.
What is the InChIKey of 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The InChIKey is RGKLZNXOKIKQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-3-2-10(15-16)14-6-7-4-8(12)11(17)9(13)5-7/h2-5,17H,6H2,1H3,(H,14,15).
What are the key properties of 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol has a molecular weight of 239.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 79892030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).