(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone

C14H17BrN4O — CID 2981648

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C14H17BrN4O/c1-2-11-5-3-4-6-18(11)14(20)12-7-13-16-8-10(15)9-19(13)17-12/h7-9,11H,2-6H2,1H3
InChIKeyGNEXBOCFVVXXBE-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.90
Rot. Bonds2

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 2981648) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID2981648
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C14H17BrN4O/c1-2-11-5-3-4-6-18(11)14(20)12-7-13-16-8-10(15)9-19(13)17-12/h7-9,11H,2-6H2,1H3
InChIKeyGNEXBOCFVVXXBE-UHFFFAOYSA-N
XLogP2.90
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
2-(1-Azepanylcarbonyl)-6-(2-chloroethyl)pyrazolo[1,5-a]pyrimidine
CID 567052
6-(2-Chloroethyl)-2-[(2,6-dimethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 4986508
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-morpholin-4-ylmethanone
CID 689338
3,6-dibromo-N-butylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094294
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 2842282
Ethyl 1-[(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-3-piperidinecarboxylate
CID 2982630
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
3,6-dibromo-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733312
(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepin-6-yl)-methanone
CID 71748082
6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2237560
Pyrazolo[1,5-a]pyrimidine, 2-(4-morpholyl)carbonyl-3,6-dibromo-
CID 559943

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone (CID 2981648) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is GNEXBOCFVVXXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-2-11-5-3-4-6-18(11)14(20)12-7-13-16-8-10(15)9-19(13)17-12/h7-9,11H,2-6H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 337.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 2981648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).