ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

C9H10N4O2 — CID 66850701

IUPACethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)6-7(10)12-13-5-3-4-11-8(6)13/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyFKBUOZSNISVNHI-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.49
Rot. Bonds2

About ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 66850701) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID66850701
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Nameethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C9H10N4O2/c1-2-15-9(14)6-7(10)12-13-5-3-4-11-8(6)13/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyFKBUOZSNISVNHI-UHFFFAOYSA-N
XLogP0.49
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
ethyl 2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 150498169
ethyl 2-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 156904498
ethyl 2-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 168899835
ethyl 2-(6-propan-2-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 165166467
pyridin-2-ylmethyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86846448
ethyl 2-[4-(dimethylsulfamoyl)-2-fluorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 174236384
[(2S)-2-cyanopropyl] 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 97066011
diethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19462076
ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682366
ethyl 2-amino-5-(5-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129097584
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355

Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 66850701) is ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(N)nn2cccnc12.
What is the InChIKey of ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FKBUOZSNISVNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-2-15-9(14)6-7(10)12-13-5-3-4-11-8(6)13/h3-5H,2H2,1H3,(H2,10,12).
What are the key properties of ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 206.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 66850701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).