[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone

C16H16F3N3O3 — CID 17490790

IUPAC[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CCO1
InChIInChI=1S/C16H16F3N3O3/c1-10-8-21(6-7-25-10)15(24)14-13(23)9-22(20-14)12-5-3-2-4-11(12)16(17,18)19/h2-5,9-10,23H,6-8H2,1H3
InChIKeyTXHNRBJIXCDOEO-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.46
Rot. Bonds2

About [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone

[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 17490790) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID17490790
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Name[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CCO1
InChIInChI=1S/C16H16F3N3O3/c1-10-8-21(6-7-25-10)15(24)14-13(23)9-22(20-14)12-5-3-2-4-11(12)16(17,18)19/h2-5,9-10,23H,6-8H2,1H3
InChIKeyTXHNRBJIXCDOEO-UHFFFAOYSA-N
XLogP2.46
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone (CID 17490790) is [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CCO1.
What is the InChIKey of [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is TXHNRBJIXCDOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-10-8-21(6-7-25-10)15(24)14-13(23)9-22(20-14)12-5-3-2-4-11(12)16(17,18)19/h2-5,9-10,23H,6-8H2,1H3.
What are the key properties of [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone?
[4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 355.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 17490790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).