5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H23F2N5O2 — CID 19453898

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C18H23F2N5O2/c19-17(20)15-10-13(12-2-3-12)22-16-11-14(23-25(15)16)18(26)21-4-1-5-24-6-8-27-9-7-24/h10-12,17H,1-9H2,(H,21,26)
InChIKeyWHNGREFPBXAROP-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.00
Rot. Bonds7

About 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19453898) has the molecular formula C18H23F2N5O2 and a molecular weight of 379.41 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19453898
Molecular FormulaC18H23F2N5O2
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C18H23F2N5O2/c19-17(20)15-10-13(12-2-3-12)22-16-11-14(23-25(15)16)18(26)21-4-1-5-24-6-8-27-9-7-24/h10-12,17H,1-9H2,(H,21,26)
InChIKeyWHNGREFPBXAROP-UHFFFAOYSA-N
XLogP2.00
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19453898) is 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc2nc(C3CC3)cc(C(F)F)n2n1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WHNGREFPBXAROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2/c19-17(20)15-10-13(12-2-3-12)22-16-11-14(23-25(15)16)18(26)21-4-1-5-24-6-8-27-9-7-24/h10-12,17H,1-9H2,(H,21,26).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 2.00, 7 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-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19453898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).