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

C15H17BrN4O3 — CID 2982630

IUPACethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1
InChIInChI=1S/C15H17BrN4O3/c1-2-23-15(22)10-4-3-5-19(8-10)14(21)12-6-13-17-7-11(16)9-20(13)18-12/h6-7,9-10H,2-5,8H2,1H3
InChIKeyPEIWBGGCKUGWKU-UHFFFAOYSA-N
MW381.23 g/mol
LogP1.91
Rot. Bonds3

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

ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate (PubChem CID 2982630) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate
PubChem CID2982630
Molecular FormulaC15H17BrN4O3
Molecular Weight381.23 g/mol
Exact Mass380.05
IUPAC Nameethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1
InChIInChI=1S/C15H17BrN4O3/c1-2-23-15(22)10-4-3-5-19(8-10)14(21)12-6-13-17-7-11(16)9-20(13)18-12/h6-7,9-10H,2-5,8H2,1H3
InChIKeyPEIWBGGCKUGWKU-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

(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)(2-ethylpiperidin-1-yl)methanone
CID 2981648
Ethyl 1-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 134795370
[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 125515590
(4-Ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
CID 126834528
Ethane;[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 142410174
[3-(Hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 142410175
8-{6-Bromopyrazolo[1,5-A]pyrimidine-2-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 1257249
6-Bromo-2-[(4-methyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2237493
6-bromo-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2981793
6-bromo-N-[2-(4-morpholinyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982338

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate (CID 2982630) is ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1.
What is the InChIKey of ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is PEIWBGGCKUGWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O3/c1-2-23-15(22)10-4-3-5-19(8-10)14(21)12-6-13-17-7-11(16)9-20(13)18-12/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-3-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-3-carboxylate is sourced from PubChem (CID 2982630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).