6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H25F3N4O3 — CID 155883971

IUPAC6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCC1=C(c2ncc(C3CCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C23H25F3N4O3/c1-32-12-15-18(21-27-11-16(33-21)13-7-5-6-8-13)22(31)30-20(28-15)17(14-9-3-2-4-10-14)19(29-30)23(24,25)26/h2-4,9-11,13,17,19-20,28-29H,5-8,12H2,1H3
InChIKeyCXHVXUQGWQLZRN-UHFFFAOYSA-N
MW462.47 g/mol
LogP3.68
Rot. Bonds5

About 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155883971) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155883971
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC Name6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCC1=C(c2ncc(C3CCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1
InChIInChI=1S/C23H25F3N4O3/c1-32-12-15-18(21-27-11-16(33-21)13-7-5-6-8-13)22(31)30-20(28-15)17(14-9-3-2-4-10-14)19(29-30)23(24,25)26/h2-4,9-11,13,17,19-20,28-29H,5-8,12H2,1H3
InChIKeyCXHVXUQGWQLZRN-UHFFFAOYSA-N
XLogP3.68
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155883971) is 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCC1=C(c2ncc(C3CCCC3)o2)C(=O)N2NC(C(F)(F)F)C(c3ccccc3)C2N1.
What is the InChIKey of 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CXHVXUQGWQLZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c1-32-12-15-18(21-27-11-16(33-21)13-7-5-6-8-13)22(31)30-20(28-15)17(14-9-3-2-4-10-14)19(29-30)23(24,25)26/h2-4,9-11,13,17,19-20,28-29H,5-8,12H2,1H3.
What are the key properties of 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 462.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopentyl-1,3-oxazol-2-yl)-5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155883971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).