6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile

C7H3BrN4 — CID 614285

IUPAC6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(Br)cnc12
InChIInChI=1S/C7H3BrN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H
InChIKeyIDYCEZBYNPADDN-UHFFFAOYSA-N
MW223.03 g/mol
LogP1.36
Rot. Bonds

About 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 614285) has the molecular formula C7H3BrN4 and a molecular weight of 223.03 g/mol. Its IUPAC name is 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID614285
Molecular FormulaC7H3BrN4
Molecular Weight223.03 g/mol
Exact Mass221.95
IUPAC Name6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(Br)cnc12
InChIInChI=1S/C7H3BrN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H
InChIKeyIDYCEZBYNPADDN-UHFFFAOYSA-N
XLogP1.36
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.03
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo(1,5-a)pyrimidine-3-carbonitrile
CID 819275
7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 2807616
3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15866980
7-Amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 5200263
3-Bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82392080
7-Amino-3-bromopyrazolo(1,5-a)pyrimidine-6-carbonitrile
CID 4200522
6-Methylpyrazolo[1,5-a]pyrimidine
CID 12773553
1-Methyl-1h-pyrazolo[3,4-d]pyrimidine
CID 223688
3-Bromo-6-methylpyrazolo(1,5-a)pyrimidine
CID 18732329
6-Bromopyrazolo[1,5-a]pyrimidine
CID 22236701
6-Bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 49757472

Frequently Asked Questions

What is the IUPAC name of 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 614285) is 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is IDYCEZBYNPADDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H.
What are the key properties of 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 223.03 g/mol, XLogP of 1.36, 0 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]pyrimidine-3-carbonitrile is sourced from PubChem (CID 614285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).