2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol

C11H11F2N3O2 — CID 117390497

IUPAC2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol
SMILESCOc1cc(-c2cn[nH]c2N)c(O)c(C(F)F)c1
InChIInChI=1S/C11H11F2N3O2/c1-18-5-2-6(8-4-15-16-11(8)14)9(17)7(3-5)10(12)13/h2-4,10,17H,1H3,(H3,14,15,16)
InChIKeyPEFJTISQTWBYCW-UHFFFAOYSA-N
MW255.22 g/mol
LogP2.31
Rot. Bonds3

About 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol

2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol (PubChem CID 117390497) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol
PubChem CID117390497
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol
SMILESCOc1cc(-c2cn[nH]c2N)c(O)c(C(F)F)c1
InChIInChI=1S/C11H11F2N3O2/c1-18-5-2-6(8-4-15-16-11(8)14)9(17)7(3-5)10(12)13/h2-4,10,17H,1H3,(H3,14,15,16)
InChIKeyPEFJTISQTWBYCW-UHFFFAOYSA-N
XLogP2.31
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426004
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094
4-[4-methoxy-2-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117395726
3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
CID 117350062
4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117395723
2-(aminooxymethyl)-6-(difluoromethyl)-4-methoxyphenol
CID 117311735
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151
2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117378752
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
5-(5-amino-1H-pyrazol-4-yl)-2-tert-butyl-4-methoxyphenol
CID 117407750

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol (CID 117390497) is 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol is COc1cc(-c2cn[nH]c2N)c(O)c(C(F)F)c1.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol?
The InChIKey is PEFJTISQTWBYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-18-5-2-6(8-4-15-16-11(8)14)9(17)7(3-5)10(12)13/h2-4,10,17H,1H3,(H3,14,15,16).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol?
2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol has a molecular weight of 255.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-6-(difluoromethyl)-4-methoxyphenol is sourced from PubChem (CID 117390497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).