ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

C12H15ClN4O3 — CID 155425580

IUPACethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(OC[C@@H](C)N)c(Cl)nc12
InChIInChI=1S/C12H15ClN4O3/c1-3-19-12(18)8-4-15-17-5-9(20-6-7(2)14)10(13)16-11(8)17/h4-5,7H,3,6,14H2,1-2H3/t7-/m1/s1
InChIKeyKQBKMKRYKNOZIZ-SSDOTTSWSA-N
MW298.73 g/mol
LogP1.29
Rot. Bonds5

About ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 155425580) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID155425580
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Nameethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(OC[C@@H](C)N)c(Cl)nc12
InChIInChI=1S/C12H15ClN4O3/c1-3-19-12(18)8-4-15-17-5-9(20-6-7(2)14)10(13)16-11(8)17/h4-5,7H,3,6,14H2,1-2H3/t7-/m1/s1
InChIKeyKQBKMKRYKNOZIZ-SSDOTTSWSA-N
XLogP1.29
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Related Compounds

ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494475
ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494483
2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155324362
ethyl 6-bromo-5-chloropyrazolo[1,5-a]pyridine-3-carboxylate
CID 169163079
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949
ethyl 1-butan-2-yl-5-chloropyrazole-4-carboxylate
CID 172748039
ethyl (12R)-12-methyl-10-oxa-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-4-carboxylate
CID 155425476
ethyl 7-chloro-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274224
ethyl 1',1'-difluorospiro[10-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraene-12,3'-cyclobutane]-4-carboxylate
CID 161064173

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 155425580) is ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2cc(OC[C@@H](C)N)c(Cl)nc12.
What is the InChIKey of ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is KQBKMKRYKNOZIZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15ClN4O3/c1-3-19-12(18)8-4-15-17-5-9(20-6-7(2)14)10(13)16-11(8)17/h4-5,7H,3,6,14H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 298.73 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2R)-2-aminopropoxy]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 155425580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).