2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol

C11H11F2N3O — CID 117350179

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol
SMILESCn1ncc(-c2ccc(C(F)F)cc2O)c1N
InChIInChI=1S/C11H11F2N3O/c1-16-11(14)8(5-15-16)7-3-2-6(10(12)13)4-9(7)17/h2-5,10,17H,14H2,1H3
InChIKeyGSSQWSGBNYRXCD-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.31
Rot. Bonds2

About 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol

2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol (PubChem CID 117350179) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol
PubChem CID117350179
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol
SMILESCn1ncc(-c2ccc(C(F)F)cc2O)c1N
InChIInChI=1S/C11H11F2N3O/c1-16-11(14)8(5-15-16)7-3-2-6(10(12)13)4-9(7)17/h2-5,10,17H,14H2,1H3
InChIKeyGSSQWSGBNYRXCD-UHFFFAOYSA-N
XLogP2.31
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol (CID 117350179) is 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol is Cn1ncc(-c2ccc(C(F)F)cc2O)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol?
The InChIKey is GSSQWSGBNYRXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-11(14)8(5-15-16)7-3-2-6(10(12)13)4-9(7)17/h2-5,10,17H,14H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol?
2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol has a molecular weight of 239.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-5-(difluoromethyl)phenol is sourced from PubChem (CID 117350179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).