ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C12H13N3O2 — CID 50896509

IUPACethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1C1CC1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)9-7-13-10-5-6-14-15(10)11(9)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyRLBBLIPFLJSCDS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.78
Rot. Bonds3

About ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 50896509) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID50896509
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccnn2c1C1CC1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)9-7-13-10-5-6-14-15(10)11(9)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyRLBBLIPFLJSCDS-UHFFFAOYSA-N
XLogP1.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 50896509) is ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ccnn2c1C1CC1.
What is the InChIKey of ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is RLBBLIPFLJSCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-12(16)9-7-13-10-5-6-14-15(10)11(9)8-3-4-8/h5-8H,2-4H2,1H3.
What are the key properties of ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-cyclopropylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 50896509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).