ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate

C15H17BrN4O3 — CID 4775673

IUPACethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1
InChIInChI=1S/C15H17BrN4O3/c1-2-23-15(22)10-3-5-19(6-4-10)14(21)12-7-13-17-8-11(16)9-20(13)18-12/h7-10H,2-6H2,1H3
InChIKeyPNARDUCPYQGNAW-UHFFFAOYSA-N
MW381.23 g/mol
LogP1.91
Rot. Bonds3

About ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 4775673) has the molecular formula C15H17BrN4O3 and a molecular weight of 381.23 g/mol. Its IUPAC name is ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate
PubChem CID4775673
Molecular FormulaC15H17BrN4O3
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Nameethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1
InChIInChI=1S/C15H17BrN4O3/c1-2-23-15(22)10-3-5-19(6-4-10)14(21)12-7-13-17-8-11(16)9-20(13)18-12/h7-10H,2-6H2,1H3
InChIKeyPNARDUCPYQGNAW-UHFFFAOYSA-N
XLogP1.91
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
ethyl 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 86998647
ethyl 1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxylate
CID 19591205
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate
CID 51999805
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate (CID 4775673) is ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1.
What is the InChIKey of ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is PNARDUCPYQGNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3/c1-2-23-15(22)10-3-5-19(6-4-10)14(21)12-7-13-17-8-11(16)9-20(13)18-12/h7-10H,2-6H2,1H3.
What are the key properties of ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 381.23 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 4775673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).