methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate

C8H6ClN3O2 — CID 59764217

IUPACmethyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(Cl)n2nccc2n1
InChIInChI=1S/C8H6ClN3O2/c1-14-8(13)5-4-6(9)12-7(11-5)2-3-10-12/h2-4H,1H3
InChIKeyQGCGOFXLRDHWIJ-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.17
Rot. Bonds1

About methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate

methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 59764217) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID59764217
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Namemethyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(Cl)n2nccc2n1
InChIInChI=1S/C8H6ClN3O2/c1-14-8(13)5-4-6(9)12-7(11-5)2-3-10-12/h2-4H,1H3
InChIKeyQGCGOFXLRDHWIJ-UHFFFAOYSA-N
XLogP1.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 59764217) is methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)c1cc(Cl)n2nccc2n1.
What is the InChIKey of methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is QGCGOFXLRDHWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-14-8(13)5-4-6(9)12-7(11-5)2-3-10-12/h2-4H,1H3.
What are the key properties of methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate?
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 211.61 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 59764217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).