methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C11H11N3O2 — CID 86207953

IUPACmethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C2CC2)n2nccc2n1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)8-6-9(7-2-3-7)14-10(13-8)4-5-12-14/h4-7H,2-3H2,1H3
InChIKeyOMPUBEBCAJROKN-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.39
Rot. Bonds2

About methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate

methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 86207953) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID86207953
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(C2CC2)n2nccc2n1
InChIInChI=1S/C11H11N3O2/c1-16-11(15)8-6-9(7-2-3-7)14-10(13-8)4-5-12-14/h4-7H,2-3H2,1H3
InChIKeyOMPUBEBCAJROKN-UHFFFAOYSA-N
XLogP1.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 86207953) is methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(C2CC2)n2nccc2n1.
What is the InChIKey of methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is OMPUBEBCAJROKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-11(15)8-6-9(7-2-3-7)14-10(13-8)4-5-12-14/h4-7H,2-3H2,1H3.
What are the key properties of methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 86207953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).