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

C22H20F3N5O2 — CID 138557528

IUPAC6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1Cc1nnc(C2CCCC2)o1
InChIInChI=1S/C22H20F3N5O2/c1-12-15(11-16-27-28-20(32-16)14-9-5-6-10-14)21(31)30-19(26-12)17(13-7-3-2-4-8-13)18(29-30)22(23,24)25/h2-4,7-8,14,29H,5-6,9-11H2,1H3
InChIKeyMPHZRGJHBPRALD-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.65
Rot. Bonds4

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

6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 138557528) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID138557528
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1Cc1nnc(C2CCCC2)o1
InChIInChI=1S/C22H20F3N5O2/c1-12-15(11-16-27-28-20(32-16)14-9-5-6-10-14)21(31)30-19(26-12)17(13-7-3-2-4-8-13)18(29-30)22(23,24)25/h2-4,7-8,14,29H,5-6,9-11H2,1H3
InChIKeyMPHZRGJHBPRALD-UHFFFAOYSA-N
XLogP4.65
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 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) is 6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1Cc1nnc(C2CCCC2)o1.
What is the InChIKey of 6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MPHZRGJHBPRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-12-15(11-16-27-28-20(32-16)14-9-5-6-10-14)21(31)30-19(26-12)17(13-7-3-2-4-8-13)18(29-30)22(23,24)25/h2-4,7-8,14,29H,5-6,9-11H2,1H3.
What are the key properties of 6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 443.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)methyl]-5-methyl-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 138557528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).