2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol

C19H19F3N2O — CID 118439350

IUPAC2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1=NN(Cc2ccccc2)C(c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C19H19F3N2O/c1-18(25,19(20,21)22)17-12-16(15-10-6-3-7-11-15)24(23-17)13-14-8-4-2-5-9-14/h2-11,16,25H,12-13H2,1H3
InChIKeyKGOQVAROBTUPKY-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol

2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 118439350) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID118439350
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1=NN(Cc2ccccc2)C(c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C19H19F3N2O/c1-18(25,19(20,21)22)17-12-16(15-10-6-3-7-11-15)24(23-17)13-14-8-4-2-5-9-14/h2-11,16,25H,12-13H2,1H3
InChIKeyKGOQVAROBTUPKY-UHFFFAOYSA-N
XLogP4.30
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol (CID 118439350) is 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol is CC(O)(C1=NN(Cc2ccccc2)C(c2ccccc2)C1)C(F)(F)F.
What is the InChIKey of 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is KGOQVAROBTUPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-18(25,19(20,21)22)17-12-16(15-10-6-3-7-11-15)24(23-17)13-14-8-4-2-5-9-14/h2-11,16,25H,12-13H2,1H3.
What are the key properties of 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol?
2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 348.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 118439350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).