ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C10H12N4O2 — CID 112706669

IUPACethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(CN)cnc12
InChIInChI=1S/C10H12N4O2/c1-2-16-10(15)8-5-13-14-6-7(3-11)4-12-9(8)14/h4-6H,2-3,11H2,1H3
InChIKeyBZKIWPKRRYLEBM-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.36
Rot. Bonds3

About ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 112706669) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID112706669
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Nameethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(CN)cnc12
InChIInChI=1S/C10H12N4O2/c1-2-16-10(15)8-5-13-14-6-7(3-11)4-12-9(8)14/h4-6H,2-3,11H2,1H3
InChIKeyBZKIWPKRRYLEBM-UHFFFAOYSA-N
XLogP0.36
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 114514794
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 6-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 56894952
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494475
ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494483
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 129298169
ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155425580
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
CID 118661383
ethyl 4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 135441508

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 112706669) is ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2cc(CN)cnc12.
What is the InChIKey of ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is BZKIWPKRRYLEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-16-10(15)8-5-13-14-6-7(3-11)4-12-9(8)14/h4-6H,2-3,11H2,1H3.
What are the key properties of ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 112706669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).