ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C13H15F2N3O3 — CID 168655039

IUPACethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C(F)F)cc(CCCO)n2n1
InChIInChI=1S/C13H15F2N3O3/c1-2-21-13(20)10-7-11-16-9(12(14)15)6-8(4-3-5-19)18(11)17-10/h6-7,12,19H,2-5H2,1H3
InChIKeyFIIXRLQRNKQORL-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.77
Rot. Bonds6

About ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 168655039) has the molecular formula C13H15F2N3O3 and a molecular weight of 299.28 g/mol. Its IUPAC name is ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID168655039
Molecular FormulaC13H15F2N3O3
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Nameethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C(F)F)cc(CCCO)n2n1
InChIInChI=1S/C13H15F2N3O3/c1-2-21-13(20)10-7-11-16-9(12(14)15)6-8(4-3-5-19)18(11)17-10/h6-7,12,19H,2-5H2,1H3
InChIKeyFIIXRLQRNKQORL-UHFFFAOYSA-N
XLogP1.77
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(1-adamantyl)-7-pentylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 166154621
ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514655
ethyl 5-cycloheptyl-7-ethylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205844
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134664341
ethyl 7-(chloromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200581
ethyl 2,4-bis(difluoromethyl)imidazo[1,5-a]pyrimidine-8-carboxylate
CID 121318992
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 1-(diethylcarbamoyl)-5-(difluoromethyl)pyrazole-3-carboxylate
CID 68948220
ethyl 7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200564
ethyl 2-[2-[[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19447615
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
ethyl 5-(cyclobutylmethyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167205929

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 168655039) is ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(C(F)F)cc(CCCO)n2n1.
What is the InChIKey of ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is FIIXRLQRNKQORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O3/c1-2-21-13(20)10-7-11-16-9(12(14)15)6-8(4-3-5-19)18(11)17-10/h6-7,12,19H,2-5H2,1H3.
What are the key properties of ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 299.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(difluoromethyl)-7-(3-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 168655039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).