5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H16F3N7O2 — CID 138557518

IUPAC5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1-c1nnc(C2=NCCCN2)o1
InChIInChI=1S/C20H16F3N7O2/c1-10-12(17-27-28-18(32-17)15-24-8-5-9-25-15)19(31)30-16(26-10)13(11-6-3-2-4-7-11)14(29-30)20(21,22)23/h2-4,6-7,29H,5,8-9H2,1H3,(H,24,25)
InChIKeyKPDCDELMXGSTPA-UHFFFAOYSA-N
MW443.39 g/mol
LogP2.81
Rot. Bonds3

About 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 138557518) has the molecular formula C20H16F3N7O2 and a molecular weight of 443.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID138557518
Molecular FormulaC20H16F3N7O2
Molecular Weight443.39 g/mol
Exact Mass443.13
IUPAC Name5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1-c1nnc(C2=NCCCN2)o1
InChIInChI=1S/C20H16F3N7O2/c1-10-12(17-27-28-18(32-17)15-24-8-5-9-25-15)19(31)30-16(26-10)13(11-6-3-2-4-7-11)14(29-30)20(21,22)23/h2-4,6-7,29H,5,8-9H2,1H3,(H,24,25)
InChIKeyKPDCDELMXGSTPA-UHFFFAOYSA-N
XLogP2.81
TPSA113.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

6-[5-(2-methoxycyclopentyl)-1,3,4-oxadiazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557734
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-benzoxazole-4-carbonitrile
CID 138557516
6-(3-chlorophenyl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138573089
3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557271
6-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557252
6-(7-methoxy-[1,3]oxazolo[5,4-c]pyridin-2-yl)-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557302
2,5-dimethyl-3-phenyl-6-(5-piperidin-3-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 159321696
[2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-1,3-benzoxazol-4-yl] N,N-dimethylcarbamate
CID 138557231
5-methyl-6-[5-methyl-4-[(E)-1-methylsulfinylbut-1-en-3-ynyl]-1,3-oxazol-2-yl]-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138573083
5-methyl-3-phenyl-6-(4-phenylmethoxy-1,3-benzoxazol-2-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557645
2-[5-methyl-7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-3H-quinazolin-4-one
CID 138557265
6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138557528

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 138557518) is 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1-c1nnc(C2=NCCCN2)o1.
What is the InChIKey of 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KPDCDELMXGSTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O2/c1-10-12(17-27-28-18(32-17)15-24-8-5-9-25-15)19(31)30-16(26-10)13(11-6-3-2-4-7-11)14(29-30)20(21,22)23/h2-4,6-7,29H,5,8-9H2,1H3,(H,24,25).
What are the key properties of 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 443.39 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-6-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3,4-oxadiazol-2-yl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 138557518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).