[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone

C17H12F3N3O2 — CID 2117655

IUPAC[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESNc1c(C(=O)c2ccccc2O)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)12-6-2-3-7-13(12)23-16(21)11(9-22-23)15(25)10-5-1-4-8-14(10)24/h1-9,24H,21H2
InChIKeyWHLTVHGTOFTYOB-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.41
Rot. Bonds3

About [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone

[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone (PubChem CID 2117655) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone
PubChem CID2117655
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESNc1c(C(=O)c2ccccc2O)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)12-6-2-3-7-13(12)23-16(21)11(9-22-23)15(25)10-5-1-4-8-14(10)24/h1-9,24H,21H2
InChIKeyWHLTVHGTOFTYOB-UHFFFAOYSA-N
XLogP3.41
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone (CID 2117655) is [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone is Nc1c(C(=O)c2ccccc2O)cnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is WHLTVHGTOFTYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)12-6-2-3-7-13(12)23-16(21)11(9-22-23)15(25)10-5-1-4-8-14(10)24/h1-9,24H,21H2.
What are the key properties of [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
[5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 347.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 2117655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).