5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H16F2N4O3 — CID 44820910

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C19H16F2N4O3/c20-17(21)14-8-13(10-1-2-10)24-18-12(9-22-25(14)18)19(26)23-11-3-4-15-16(7-11)28-6-5-27-15/h3-4,7-10,17H,1-2,5-6H2,(H,23,26)
InChIKeyXOHRYVBNAYJBEY-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.57
Rot. Bonds4

About 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 44820910) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID44820910
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C19H16F2N4O3/c20-17(21)14-8-13(10-1-2-10)24-18-12(9-22-25(14)18)19(26)23-11-3-4-15-16(7-11)28-6-5-27-15/h3-4,7-10,17H,1-2,5-6H2,(H,23,26)
InChIKeyXOHRYVBNAYJBEY-UHFFFAOYSA-N
XLogP3.57
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 44820910) is 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XOHRYVBNAYJBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c20-17(21)14-8-13(10-1-2-10)24-18-12(9-22-25(14)18)19(26)23-11-3-4-15-16(7-11)28-6-5-27-15/h3-4,7-10,17H,1-2,5-6H2,(H,23,26).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 44820910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).