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

C7H3BrN4 — CID 82392080

IUPAC3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(Br)cnn2c1
InChIInChI=1S/C7H3BrN4/c8-6-3-11-12-4-5(1-9)2-10-7(6)12/h2-4H
InChIKeyDVWYWNOKILBICA-UHFFFAOYSA-N
MW223.03 g/mol
LogP1.36
Rot. Bonds

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

3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 82392080) has the molecular formula C7H3BrN4 and a molecular weight of 223.03 g/mol. Its IUPAC name is 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID82392080
Molecular FormulaC7H3BrN4
Molecular Weight223.03 g/mol
Exact Mass221.95
IUPAC Name3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(Br)cnn2c1
InChIInChI=1S/C7H3BrN4/c8-6-3-11-12-4-5(1-9)2-10-7(6)12/h2-4H
InChIKeyDVWYWNOKILBICA-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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Frequently Asked Questions

What is the IUPAC name of 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 82392080) is 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2c(Br)cnn2c1.
What is the InChIKey of 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is DVWYWNOKILBICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN4/c8-6-3-11-12-4-5(1-9)2-10-7(6)12/h2-4H.
What are the key properties of 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
3-bromopyrazolo[1,5-a]pyrimidine-6-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 3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 82392080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).