ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C13H16N4O2 — CID 58034760

IUPACethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C3CC3)nn2c1N
InChIInChI=1S/C13H16N4O2/c1-3-19-13(18)11-7(2)15-10-6-9(8-4-5-8)16-17(10)12(11)14/h6,8H,3-5,14H2,1-2H3
InChIKeyWYYROEKNWBUKLJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.67
Rot. Bonds3

About ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 58034760) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID58034760
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1c(C)nc2cc(C3CC3)nn2c1N
InChIInChI=1S/C13H16N4O2/c1-3-19-13(18)11-7(2)15-10-6-9(8-4-5-8)16-17(10)12(11)14/h6,8H,3-5,14H2,1-2H3
InChIKeyWYYROEKNWBUKLJ-UHFFFAOYSA-N
XLogP1.67
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 58034760) is ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1c(C)nc2cc(C3CC3)nn2c1N.
What is the InChIKey of ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is WYYROEKNWBUKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-13(18)11-7(2)15-10-6-9(8-4-5-8)16-17(10)12(11)14/h6,8H,3-5,14H2,1-2H3.
What are the key properties of ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-2-cyclopropyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 58034760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).