5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H23F2N5O2 — CID 44820954

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C18H23F2N5O2/c1-11(10-24-4-6-27-7-5-24)21-18(26)14-9-16-22-13(12-2-3-12)8-15(17(19)20)25(16)23-14/h8-9,11-12,17H,2-7,10H2,1H3,(H,21,26)
InChIKeyOSUGMTAFJZSOAT-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.99
Rot. Bonds6

About 5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44820954) has the molecular formula C18H23F2N5O2 and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44820954
Molecular FormulaC18H23F2N5O2
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C18H23F2N5O2/c1-11(10-24-4-6-27-7-5-24)21-18(26)14-9-16-22-13(12-2-3-12)8-15(17(19)20)25(16)23-14/h8-9,11-12,17H,2-7,10H2,1H3,(H,21,26)
InChIKeyOSUGMTAFJZSOAT-UHFFFAOYSA-N
XLogP1.99
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.99
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-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 44820954) is 5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(CN1CCOCC1)NC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OSUGMTAFJZSOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2/c1-11(10-24-4-6-27-7-5-24)21-18(26)14-9-16-22-13(12-2-3-12)8-15(17(19)20)25(16)23-14/h8-9,11-12,17H,2-7,10H2,1H3,(H,21,26).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 1.99, 6 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-(1-morpholin-4-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44820954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).