methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C9H8ClN3O2 — CID 84690112

IUPACmethyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2cc(C)nn2c1Cl
InChIInChI=1S/C9H8ClN3O2/c1-5-3-7-11-4-6(9(14)15-2)8(10)13(7)12-5/h3-4H,1-2H3
InChIKeyGSYNJXLCSRXTKV-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.48
Rot. Bonds1

About methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 84690112) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID84690112
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Namemethyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cnc2cc(C)nn2c1Cl
InChIInChI=1S/C9H8ClN3O2/c1-5-3-7-11-4-6(9(14)15-2)8(10)13(7)12-5/h3-4H,1-2H3
InChIKeyGSYNJXLCSRXTKV-UHFFFAOYSA-N
XLogP1.48
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
ethyl 7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 937353
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate
CID 126422950
7-methoxycarbonyl-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 143346586
methyl 3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]propanoate
CID 43322248
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641471
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
2,7-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641486
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
methyl 2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]-2-methylpropanoate
CID 43725802

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 84690112) is methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)c1cnc2cc(C)nn2c1Cl.
What is the InChIKey of methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is GSYNJXLCSRXTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-5-3-7-11-4-6(9(14)15-2)8(10)13(7)12-5/h3-4H,1-2H3.
What are the key properties of methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 225.64 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 84690112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).