5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H23F3N4O3 — CID 155883994

IUPAC5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2nc3c(OC(C)C)cccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C24H23F3N4O3/c1-12(2)33-15-10-7-11-16-19(15)29-22(34-16)17-13(3)28-21-18(14-8-5-4-6-9-14)20(24(25,26)27)30-31(21)23(17)32/h4-12,18,20-21,28,30H,1-3H3
InChIKeyGBSDHZCDVSEVMT-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.34
Rot. Bonds4

About 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155883994) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155883994
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC1=C(c2nc3c(OC(C)C)cccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C24H23F3N4O3/c1-12(2)33-15-10-7-11-16-19(15)29-22(34-16)17-13(3)28-21-18(14-8-5-4-6-9-14)20(24(25,26)27)30-31(21)23(17)32/h4-12,18,20-21,28,30H,1-3H3
InChIKeyGBSDHZCDVSEVMT-UHFFFAOYSA-N
XLogP4.34
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one 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-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155883994) is 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC1=C(c2nc3c(OC(C)C)cccc3o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GBSDHZCDVSEVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-12(2)33-15-10-7-11-16-19(15)29-22(34-16)17-13(3)28-21-18(14-8-5-4-6-9-14)20(24(25,26)27)30-31(21)23(17)32/h4-12,18,20-21,28,30H,1-3H3.
What are the key properties of 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 472.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-(4-propan-2-yloxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155883994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).