methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C13H9ClN4O2 — CID 44822346

IUPACmethyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cccnc2)nc2c(Cl)cnn12
InChIInChI=1S/C13H9ClN4O2/c1-20-13(19)11-5-10(8-3-2-4-15-6-8)17-12-9(14)7-16-18(11)12/h2-7H,1H3
InChIKeyVSRSZTZYPADDKA-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.23
Rot. Bonds2

About methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 44822346) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID44822346
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Namemethyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cccnc2)nc2c(Cl)cnn12
InChIInChI=1S/C13H9ClN4O2/c1-20-13(19)11-5-10(8-3-2-4-15-6-8)17-12-9(14)7-16-18(11)12/h2-7H,1H3
InChIKeyVSRSZTZYPADDKA-UHFFFAOYSA-N
XLogP2.23
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-chloro-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29091398
methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916288
methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25247710
methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916264
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate
CID 175697846
methyl 5-(3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29091282
methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916100
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916146
methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822298
3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091407

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 44822346) is methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2cccnc2)nc2c(Cl)cnn12.
What is the InChIKey of methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is VSRSZTZYPADDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c1-20-13(19)11-5-10(8-3-2-4-15-6-8)17-12-9(14)7-16-18(11)12/h2-7H,1H3.
What are the key properties of methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 288.69 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 44822346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).