N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine

C13H11ClN4 — CID 44589880

IUPACN-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCc2ccccc2)n2nccc2n1
InChIInChI=1S/C13H11ClN4/c14-11-8-13(18-12(17-11)6-7-16-18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyIFDHYEGUTZWRTK-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.99
Rot. Bonds3

About N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine

N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 44589880) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID44589880
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC NameN-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCc2ccccc2)n2nccc2n1
InChIInChI=1S/C13H11ClN4/c14-11-8-13(18-12(17-11)6-7-16-18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKeyIFDHYEGUTZWRTK-UHFFFAOYSA-N
XLogP2.99
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine (CID 44589880) is N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NCc2ccccc2)n2nccc2n1.
What is the InChIKey of N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IFDHYEGUTZWRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-8-13(18-12(17-11)6-7-16-18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2.
What are the key properties of N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine?
N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 258.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloropyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 44589880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).