methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C9H9N3O2 — CID 129298169

IUPACmethyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(C)cnc12
InChIInChI=1S/C9H9N3O2/c1-6-3-10-8-7(9(13)14-2)4-11-12(8)5-6/h3-5H,1-2H3
InChIKeyIAJWLEFUMREYJP-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.82
Rot. Bonds1

About methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 129298169) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID129298169
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(C)cnc12
InChIInChI=1S/C9H9N3O2/c1-6-3-10-8-7(9(13)14-2)4-11-12(8)5-6/h3-5H,1-2H3
InChIKeyIAJWLEFUMREYJP-UHFFFAOYSA-N
XLogP0.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 6-(aminomethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 112706669
ethane;N-(6-methoxy-2-methylindazol-5-yl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537279
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156823516
2-methyl-2-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)propanoic acid
CID 84724469
methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051745
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
N-methyl-2-[1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]acetamide
CID 92633814
6-methyl-N-(4-methyl-3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134708782
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
(3R)-N,3-dimethyl-1-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxamide
CID 92632456
6-methyl-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 162637073

Frequently Asked Questions

What is the IUPAC name of methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 129298169) is methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1cnn2cc(C)cnc12.
What is the InChIKey of methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is IAJWLEFUMREYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-3-10-8-7(9(13)14-2)4-11-12(8)5-6/h3-5H,1-2H3.
What are the key properties of methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 129298169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).