ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate

C17H22N4O3 — CID 3244226

IUPACethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnn3c(C)cc(C)nc23)CC1
InChIInChI=1S/C17H22N4O3/c1-4-24-17(23)13-5-7-20(8-6-13)16(22)14-10-18-21-12(3)9-11(2)19-15(14)21/h9-10,13H,4-8H2,1-3H3
InChIKeyQBSPUVMXBWTPCN-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.76
Rot. Bonds3

About ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate

ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 3244226) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate
PubChem CID3244226
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cnn3c(C)cc(C)nc23)CC1
InChIInChI=1S/C17H22N4O3/c1-4-24-17(23)13-5-7-20(8-6-13)16(22)14-10-18-21-12(3)9-11(2)19-15(14)21/h9-10,13H,4-8H2,1-3H3
InChIKeyQBSPUVMXBWTPCN-UHFFFAOYSA-N
XLogP1.76
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate (CID 3244226) is ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cnn3c(C)cc(C)nc23)CC1.
What is the InChIKey of ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is QBSPUVMXBWTPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-24-17(23)13-5-7-20(8-6-13)16(22)14-10-18-21-12(3)9-11(2)19-15(14)21/h9-10,13H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 3244226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).