7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H15F2N5O — CID 1093935

IUPAC7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H15F2N5O/c21-18(22)17-9-16(14-6-2-1-3-7-14)26-19-15(12-25-27(17)19)20(28)24-11-13-5-4-8-23-10-13/h1-10,12,18H,11H2,(H,24,28)
InChIKeyBQCPNVZUXANACX-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.66
Rot. Bonds5

About 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1093935) has the molecular formula C20H15F2N5O and a molecular weight of 379.37 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1093935
Molecular FormulaC20H15F2N5O
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C20H15F2N5O/c21-18(22)17-9-16(14-6-2-1-3-7-14)26-19-15(12-25-27(17)19)20(28)24-11-13-5-4-8-23-10-13/h1-10,12,18H,11H2,(H,24,28)
InChIKeyBQCPNVZUXANACX-UHFFFAOYSA-N
XLogP3.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1093935) is 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1cccnc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BQCPNVZUXANACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O/c21-18(22)17-9-16(14-6-2-1-3-7-14)26-19-15(12-25-27(17)19)20(28)24-11-13-5-4-8-23-10-13/h1-10,12,18H,11H2,(H,24,28).
What are the key properties of 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1093935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).