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

C7H4BrN5 — CID 4200522

IUPAC7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(Br)cnn2c1N
InChIInChI=1S/C7H4BrN5/c8-5-3-12-13-6(10)4(1-9)2-11-7(5)13/h2-3H,10H2
InChIKeyDPKLKYARCKQSMJ-UHFFFAOYSA-N
MW238.05 g/mol
LogP0.95
Rot. Bonds

About 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 4200522) has the molecular formula C7H4BrN5 and a molecular weight of 238.05 g/mol. Its IUPAC name is 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID4200522
Molecular FormulaC7H4BrN5
Molecular Weight238.05 g/mol
Exact Mass236.97
IUPAC Name7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2c(Br)cnn2c1N
InChIInChI=1S/C7H4BrN5/c8-5-3-12-13-6(10)4(1-9)2-11-7(5)13/h2-3H,10H2
InChIKeyDPKLKYARCKQSMJ-UHFFFAOYSA-N
XLogP0.95
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 4200522) is 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2c(Br)cnn2c1N.
What is the InChIKey of 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is DPKLKYARCKQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN5/c8-5-3-12-13-6(10)4(1-9)2-11-7(5)13/h2-3H,10H2.
What are the key properties of 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 238.05 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 4200522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).