methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate

C15H18N4O3 — CID 126422950

IUPACmethyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate
SMILESCOC(=O)C1(C)CN(C(=O)c2cnc3cc(C)nn3c2C)C1
InChIInChI=1S/C15H18N4O3/c1-9-5-12-16-6-11(10(2)19(12)17-9)13(20)18-7-15(3,8-18)14(21)22-4/h5-6H,7-8H2,1-4H3
InChIKeyHUXCXAODFSXXDE-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.98
Rot. Bonds2

About methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate

methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate (PubChem CID 126422950) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate
PubChem CID126422950
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Namemethyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate
SMILESCOC(=O)C1(C)CN(C(=O)c2cnc3cc(C)nn3c2C)C1
InChIInChI=1S/C15H18N4O3/c1-9-5-12-16-6-11(10(2)19(12)17-9)13(20)18-7-15(3,8-18)14(21)22-4/h5-6H,7-8H2,1-4H3
InChIKeyHUXCXAODFSXXDE-UHFFFAOYSA-N
XLogP0.98
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 42938714
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
6-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174899
(3S,4S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951778
N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877516
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 127432946
methyl 7-chloro-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 84690112
2-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556524
methyl (4R)-3-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 23732408
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 24641599
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
[5-[[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate
CID 3848621

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate?
The IUPAC name of methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate (CID 126422950) is methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate is COC(=O)C1(C)CN(C(=O)c2cnc3cc(C)nn3c2C)C1.
What is the InChIKey of methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate?
The InChIKey is HUXCXAODFSXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-5-12-16-6-11(10(2)19(12)17-9)13(20)18-7-15(3,8-18)14(21)22-4/h5-6H,7-8H2,1-4H3.
What are the key properties of methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate?
methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-methylazetidine-3-carboxylate is sourced from PubChem (CID 126422950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).