ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C13H13F2N3O2 — CID 168655014

IUPACethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C(F)F)cc(C3CC3)n2n1
InChIInChI=1S/C13H13F2N3O2/c1-2-20-13(19)9-6-11-16-8(12(14)15)5-10(7-3-4-7)18(11)17-9/h5-7,12H,2-4H2,1H3
InChIKeyCEEICTUSLWIZKP-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.72
Rot. Bonds4

About ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 168655014) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID168655014
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Nameethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C(F)F)cc(C3CC3)n2n1
InChIInChI=1S/C13H13F2N3O2/c1-2-20-13(19)9-6-11-16-8(12(14)15)5-10(7-3-4-7)18(11)17-9/h5-7,12H,2-4H2,1H3
InChIKeyCEEICTUSLWIZKP-UHFFFAOYSA-N
XLogP2.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 168655014) is ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(C(F)F)cc(C3CC3)n2n1.
What is the InChIKey of ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is CEEICTUSLWIZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-2-20-13(19)9-6-11-16-8(12(14)15)5-10(7-3-4-7)18(11)17-9/h5-7,12H,2-4H2,1H3.
What are the key properties of ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 281.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-cyclopropyl-5-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 168655014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).