4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol

C11H11F2N3O — CID 137017249

IUPAC4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol
SMILESCn1nc(-c2ccc(O)c(C(F)F)c2)cc1N
InChIInChI=1S/C11H11F2N3O/c1-16-10(14)5-8(15-16)6-2-3-9(17)7(4-6)11(12)13/h2-5,11,17H,14H2,1H3
InChIKeyZEWMWDLKSIJPHR-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.31
Rot. Bonds2

About 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol

4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol (PubChem CID 137017249) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol
PubChem CID137017249
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol
SMILESCn1nc(-c2ccc(O)c(C(F)F)c2)cc1N
InChIInChI=1S/C11H11F2N3O/c1-16-10(14)5-8(15-16)6-2-3-9(17)7(4-6)11(12)13/h2-5,11,17H,14H2,1H3
InChIKeyZEWMWDLKSIJPHR-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

Analyze 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
3-(3-butan-2-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 123961283
1-methyl-3-(4-methyl-3-methylsulfanylphenyl)pyrazol-5-amine
CID 117338985
3-(3,4-dichlorophenyl)-1-methylpyrazol-5-amine
CID 1471110
4-(3-amino-1,2-oxazol-5-yl)-2-(difluoromethyl)phenol
CID 136968513
3-(3-heptan-4-yl-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 123625778
4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol
CID 136966419
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
1-methyl-3-(3-methylsulfanyl-4-methylsulfonylphenyl)pyrazol-5-amine
CID 117479047
1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
CID 117327059
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 63744696

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol (CID 137017249) is 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol is Cn1nc(-c2ccc(O)c(C(F)F)c2)cc1N.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol?
The InChIKey is ZEWMWDLKSIJPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-10(14)5-8(15-16)6-2-3-9(17)7(4-6)11(12)13/h2-5,11,17H,14H2,1H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol?
4-(5-amino-1-methylpyrazol-3-yl)-2-(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 4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol is sourced from PubChem (CID 137017249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).