2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine

C12H14Cl2N4 — CID 58029367

IUPAC2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2nc(C3CCCCCN3)cc2n1
InChIInChI=1S/C12H14Cl2N4/c13-10-7-11(14)18-12(16-10)6-9(17-18)8-4-2-1-3-5-15-8/h6-8,15H,1-5H2
InChIKeyBEYBTGBTXFDZBO-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.24
Rot. Bonds1

About 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine

2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine (PubChem CID 58029367) has the molecular formula C12H14Cl2N4 and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine
PubChem CID58029367
Molecular FormulaC12H14Cl2N4
Molecular Weight285.18 g/mol
Exact Mass284.06
IUPAC Name2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2nc(C3CCCCCN3)cc2n1
InChIInChI=1S/C12H14Cl2N4/c13-10-7-11(14)18-12(16-10)6-9(17-18)8-4-2-1-3-5-15-8/h6-8,15H,1-5H2
InChIKeyBEYBTGBTXFDZBO-UHFFFAOYSA-N
XLogP3.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-7-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 76668404
[(2S)-2-[5,7-bis(3-hydroxyazetidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;5,7-dichloro-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 159260187
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446
N-cyclopropyl-5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 138391891
7-chloro-2-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269836
4-(2-piperidin-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 121406375
5,7-dichloro-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 58530978
5-methyl-7-pyridin-4-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 138391860
5-methyl-7-pyrimidin-5-yl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 138391857
5-methyl-7-(4-methylpiperazin-1-yl)-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 138391870
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84750927

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine (CID 58029367) is 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine is Clc1cc(Cl)n2nc(C3CCCCCN3)cc2n1.
What is the InChIKey of 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine?
The InChIKey is BEYBTGBTXFDZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4/c13-10-7-11(14)18-12(16-10)6-9(17-18)8-4-2-1-3-5-15-8/h6-8,15H,1-5H2.
What are the key properties of 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine?
2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine has a molecular weight of 285.18 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58029367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).