5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18F2N4O — CID 1257886

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C19H18F2N4O/c20-17(21)16-10-15(13-6-7-13)24-18-14(11-23-25(16)18)19(26)22-9-8-12-4-2-1-3-5-12/h1-5,10-11,13,17H,6-9H2,(H,22,26)
InChIKeyLUSANYAGICKOIC-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.52
Rot. Bonds6

About 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1257886) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1257886
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C19H18F2N4O/c20-17(21)16-10-15(13-6-7-13)24-18-14(11-23-25(16)18)19(26)22-9-8-12-4-2-1-3-5-12/h1-5,10-11,13,17H,6-9H2,(H,22,26)
InChIKeyLUSANYAGICKOIC-UHFFFAOYSA-N
XLogP3.52
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1257886) is 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LUSANYAGICKOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-17(21)16-10-15(13-6-7-13)24-18-14(11-23-25(16)18)19(26)22-9-8-12-4-2-1-3-5-12/h1-5,10-11,13,17H,6-9H2,(H,22,26).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1257886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).