(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone

C12H14BrN5O — CID 2237493

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1
InChIInChI=1S/C12H14BrN5O/c1-16-2-4-17(5-3-16)12(19)10-6-11-14-7-9(13)8-18(11)15-10/h6-8H,2-5H2,1H3
InChIKeyZSTLUECJBALHKD-UHFFFAOYSA-N
MW324.18 g/mol
LogP0.88
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 2237493) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID2237493
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1
InChIInChI=1S/C12H14BrN5O/c1-16-2-4-17(5-3-16)12(19)10-6-11-14-7-9(13)8-18(11)15-10/h6-8H,2-5H2,1H3
InChIKeyZSTLUECJBALHKD-UHFFFAOYSA-N
XLogP0.88
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-Bromo-pyrazolo[1,5-a]pyrimidine-2-carbonyl)-3,4,5,6,7,8-hexahydro-thiazolo[4,5-d]azepin-2-one
CID 71748063
6-bromo-3-chloro-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3094293
(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
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
N-allyl-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2171634
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

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 2237493) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZSTLUECJBALHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-16-2-4-17(5-3-16)12(19)10-6-11-14-7-9(13)8-18(11)15-10/h6-8H,2-5H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 324.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 2237493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).