[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone

C20H17F2N5O — CID 1289753

IUPAC[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone
SMILESCCc1nccn1C(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C20H17F2N5O/c1-3-17-23-8-9-26(17)20(28)14-11-24-27-16(18(21)22)10-15(25-19(14)27)13-6-4-12(2)5-7-13/h4-11,18H,3H2,1-2H3
InChIKeyQHIRBQMBSUOCAG-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.09
Rot. Bonds4

About [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone

[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone (PubChem CID 1289753) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone
PubChem CID1289753
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone
SMILESCCc1nccn1C(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C20H17F2N5O/c1-3-17-23-8-9-26(17)20(28)14-11-24-27-16(18(21)22)10-15(25-19(14)27)13-6-4-12(2)5-7-13/h4-11,18H,3H2,1-2H3
InChIKeyQHIRBQMBSUOCAG-UHFFFAOYSA-N
XLogP4.09
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone?
The IUPAC name of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone (CID 1289753) is [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone.
What is the SMILES notation for [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone?
The canonical SMILES for [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone is CCc1nccn1C(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12.
What is the InChIKey of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone?
The InChIKey is QHIRBQMBSUOCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c1-3-17-23-8-9-26(17)20(28)14-11-24-27-16(18(21)22)10-15(25-19(14)27)13-6-4-12(2)5-7-13/h4-11,18H,3H2,1-2H3.
What are the key properties of [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone?
[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone has a molecular weight of 381.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-ethylimidazol-1-yl)methanone is sourced from PubChem (CID 1289753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).