methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

C8H8N4O2 — CID 129298482

IUPACmethyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(N)nc12
InChIInChI=1S/C8H8N4O2/c1-14-8(13)5-4-10-12-3-2-6(9)11-7(5)12/h2-4H,1H3,(H2,9,11)
InChIKeyOQVQDRUHAWZSFP-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.10
Rot. Bonds1

About methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 129298482) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID129298482
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(N)nc12
InChIInChI=1S/C8H8N4O2/c1-14-8(13)5-4-10-12-3-2-6(9)11-7(5)12/h2-4H,1H3,(H2,9,11)
InChIKeyOQVQDRUHAWZSFP-UHFFFAOYSA-N
XLogP0.10
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 129298482) is methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1cnn2ccc(N)nc12.
What is the InChIKey of methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is OQVQDRUHAWZSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-8(13)5-4-10-12-3-2-6(9)11-7(5)12/h2-4H,1H3,(H2,9,11).
What are the key properties of methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 192.18 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 129298482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).