5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid

C24H25F3N4O4 — CID 155884119

IUPAC5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC1=C(c2nc(C(=O)O)c(C3CCCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C24H25F3N4O4/c1-12-15(21-29-17(23(33)34)18(35-21)14-10-6-3-7-11-14)22(32)31-20(28-12)16(13-8-4-2-5-9-13)19(30-31)24(25,26)27/h2,4-5,8-9,14,16,19-20,28,30H,3,6-7,10-11H2,1H3,(H,33,34)
InChIKeyGDWVDFPLCVEHRJ-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.14
Rot. Bonds4

About 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid

5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 155884119) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID155884119
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC Name5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC1=C(c2nc(C(=O)O)c(C3CCCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C24H25F3N4O4/c1-12-15(21-29-17(23(33)34)18(35-21)14-10-6-3-7-11-14)22(32)31-20(28-12)16(13-8-4-2-5-9-13)19(30-31)24(25,26)27/h2,4-5,8-9,14,16,19-20,28,30H,3,6-7,10-11H2,1H3,(H,33,34)
InChIKeyGDWVDFPLCVEHRJ-UHFFFAOYSA-N
XLogP4.14
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid (CID 155884119) is 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid is CC1=C(c2nc(C(=O)O)c(C3CCCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is GDWVDFPLCVEHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-12-15(21-29-17(23(33)34)18(35-21)14-10-6-3-7-11-14)22(32)31-20(28-12)16(13-8-4-2-5-9-13)19(30-31)24(25,26)27/h2,4-5,8-9,14,16,19-20,28,30H,3,6-7,10-11H2,1H3,(H,33,34).
What are the key properties of 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid?
5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 490.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 155884119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).