7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile

C7H6BrN5 — CID 135840634

IUPAC7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)n2ncc(Br)c2NC1
InChIInChI=1S/C7H6BrN5/c8-5-3-12-13-6(10)4(1-9)2-11-7(5)13/h3,11H,2,10H2
InChIKeyJLJFRENOSSUPHK-UHFFFAOYSA-N
MW240.06 g/mol
LogP0.72
Rot. Bonds

About 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 135840634) has the molecular formula C7H6BrN5 and a molecular weight of 240.06 g/mol. Its IUPAC name is 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID135840634
Molecular FormulaC7H6BrN5
Molecular Weight240.06 g/mol
Exact Mass238.98
IUPAC Name7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)n2ncc(Br)c2NC1
InChIInChI=1S/C7H6BrN5/c8-5-3-12-13-6(10)4(1-9)2-11-7(5)13/h3,11H,2,10H2
InChIKeyJLJFRENOSSUPHK-UHFFFAOYSA-N
XLogP0.72
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 135840634) is 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#CC1=C(N)n2ncc(Br)c2NC1.
What is the InChIKey of 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is JLJFRENOSSUPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5/c8-5-3-12-13-6(10)4(1-9)2-11-7(5)13/h3,11H,2,10H2.
What are the key properties of 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 240.06 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-bromo-4,5-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 135840634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).