ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate

C16H20N4O3 — CID 134795370

IUPACethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnc3cc(C)nn3c2)C1
InChIInChI=1S/C16H20N4O3/c1-3-23-16(22)12-5-4-6-19(9-12)15(21)13-8-17-14-7-11(2)18-20(14)10-13/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyHIVROVJFWYGEQA-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.45
Rot. Bonds3

About ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate

ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate (PubChem CID 134795370) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
PubChem CID134795370
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cnc3cc(C)nn3c2)C1
InChIInChI=1S/C16H20N4O3/c1-3-23-16(22)12-5-4-6-19(9-12)15(21)13-8-17-14-7-11(2)18-20(14)10-13/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyHIVROVJFWYGEQA-UHFFFAOYSA-N
XLogP1.45
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate (CID 134795370) is ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cnc3cc(C)nn3c2)C1.
What is the InChIKey of ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
The InChIKey is HIVROVJFWYGEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-23-16(22)12-5-4-6-19(9-12)15(21)13-8-17-14-7-11(2)18-20(14)10-13/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate?
ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 134795370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).