methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate

C11H12ClN3O4 — CID 171895831

IUPACmethyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate
SMILESCOC(=O)CC(O)C(O)c1cnn2ccc(Cl)nc12
InChIInChI=1S/C11H12ClN3O4/c1-19-9(17)4-7(16)10(18)6-5-13-15-3-2-8(12)14-11(6)15/h2-3,5,7,10,16,18H,4H2,1H3
InChIKeyFSYFQEZKTCLJMV-UHFFFAOYSA-N
MW285.69 g/mol
LogP0.34
Rot. Bonds4

About methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate

methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate (PubChem CID 171895831) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate
PubChem CID171895831
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Namemethyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate
SMILESCOC(=O)CC(O)C(O)c1cnn2ccc(Cl)nc12
InChIInChI=1S/C11H12ClN3O4/c1-19-9(17)4-7(16)10(18)6-5-13-15-3-2-8(12)14-11(6)15/h2-3,5,7,10,16,18H,4H2,1H3
InChIKeyFSYFQEZKTCLJMV-UHFFFAOYSA-N
XLogP0.34
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3-(methylamino)propane-1,2-diol
CID 171858182
9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170834414
ethyl 3,4-dihydroxy-4-pyrazolo[1,5-a]pyrimidin-3-ylbutanoate
CID 171897558
methyl 4-(2,5-dichloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895342
methyl 4-(3-amino-6-chloropyridazin-4-yl)-3,4-dihydroxybutanoate
CID 171895389
methyl 4-(6-chloropyridazin-3-yl)-3,4-dihydroxybutanoate
CID 171896642
methyl 4-(2-amino-5-chlorophenyl)-3,4-dihydroxybutanoate
CID 171895291
methyl 4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanoate
CID 171896669
N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enyl]acetamide
CID 169465666
3-chloro-4-(1,2-dihydroxy-4-methoxy-4-oxobutyl)benzoic acid
CID 171895855
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710
methyl 4-(2-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895962

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate?
The IUPAC name of methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate (CID 171895831) is methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate.
What is the SMILES notation for methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate?
The canonical SMILES for methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate is COC(=O)CC(O)C(O)c1cnn2ccc(Cl)nc12.
What is the InChIKey of methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate?
The InChIKey is FSYFQEZKTCLJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c1-19-9(17)4-7(16)10(18)6-5-13-15-3-2-8(12)14-11(6)15/h2-3,5,7,10,16,18H,4H2,1H3.
What are the key properties of methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate?
methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate has a molecular weight of 285.69 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171895831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).