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

C12H11F2N3O2 — CID 168654995

IUPACmethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C12H11F2N3O2/c1-19-12(18)8-5-10-15-7(6-2-3-6)4-9(11(13)14)17(10)16-8/h4-6,11H,2-3H2,1H3
InChIKeyJKQVKQIJLMSWTL-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.33
Rot. Bonds3

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

methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 168654995) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID168654995
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Namemethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1
InChIInChI=1S/C12H11F2N3O2/c1-19-12(18)8-5-10-15-7(6-2-3-6)4-9(11(13)14)17(10)16-8/h4-6,11H,2-3H2,1H3
InChIKeyJKQVKQIJLMSWTL-UHFFFAOYSA-N
XLogP2.33
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 168654995) is methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1.
What is the InChIKey of methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is JKQVKQIJLMSWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c1-19-12(18)8-5-10-15-7(6-2-3-6)4-9(11(13)14)17(10)16-8/h4-6,11H,2-3H2,1H3.
What are the key properties of methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 267.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 168654995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).