ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate

C9H7Cl2N3O2 — CID 131526354

IUPACethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cnn2c1Cl
InChIInChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)5-3-12-8-6(10)4-13-14(8)7(5)11/h3-4H,2H2,1H3
InChIKeyVWRKFQCPAHGGQE-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.21
Rot. Bonds2

About ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 131526354) has the molecular formula C9H7Cl2N3O2 and a molecular weight of 260.08 g/mol. Its IUPAC name is ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID131526354
Molecular FormulaC9H7Cl2N3O2
Molecular Weight260.08 g/mol
Exact Mass258.99
IUPAC Nameethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Cl)cnn2c1Cl
InChIInChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)5-3-12-8-6(10)4-13-14(8)7(5)11/h3-4H,2H2,1H3
InChIKeyVWRKFQCPAHGGQE-UHFFFAOYSA-N
XLogP2.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
ethyl 7-chloro-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274224
ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 19839439
ethyl 7-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11198460
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419
ethyl 1-butan-2-yl-5-chloropyrazole-4-carboxylate
CID 172748039
ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
CID 10264278
ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 14690582
3-O-ethyl 6-O-methyl 7-(4-methylanilino)pyrazolo[1,5-a]pyrimidine-3,6-dicarboxylate
CID 67540411
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
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 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 131526354) is ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(Cl)cnn2c1Cl.
What is the InChIKey of ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is VWRKFQCPAHGGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O2/c1-2-16-9(15)5-3-12-8-6(10)4-13-14(8)7(5)11/h3-4H,2H2,1H3.
What are the key properties of ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 260.08 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 131526354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).