5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C16H10F5N3O — CID 137183378

IUPAC5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1cc(Nc2ccc(F)c(F)c2)ccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C16H10F5N3O/c17-11-4-2-8(5-12(11)18)22-9-1-3-10(14(25)6-9)13-7-15(24-23-13)16(19,20)21/h1-7,22,25H,(H,23,24)
InChIKeyXVXMCFFKCNAFFX-UHFFFAOYSA-N
MW355.27 g/mol
LogP4.82
Rot. Bonds3

About 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 137183378) has the molecular formula C16H10F5N3O and a molecular weight of 355.27 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID137183378
Molecular FormulaC16H10F5N3O
Molecular Weight355.27 g/mol
Exact Mass355.07
IUPAC Name5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1cc(Nc2ccc(F)c(F)c2)ccc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C16H10F5N3O/c17-11-4-2-8(5-12(11)18)22-9-1-3-10(14(25)6-9)13-7-15(24-23-13)16(19,20)21/h1-7,22,25H,(H,23,24)
InChIKeyXVXMCFFKCNAFFX-UHFFFAOYSA-N
XLogP4.82
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 137183378) is 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1cc(Nc2ccc(F)c(F)c2)ccc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is XVXMCFFKCNAFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3O/c17-11-4-2-8(5-12(11)18)22-9-1-3-10(14(25)6-9)13-7-15(24-23-13)16(19,20)21/h1-7,22,25H,(H,23,24).
What are the key properties of 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 355.27 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 137183378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).