5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H5Cl2FN4 — CID 114514536

IUPAC5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(Cl)c(-c3ccccc3F)c(Cl)nc12
InChIInChI=1S/C13H5Cl2FN4/c14-11-10(8-3-1-2-4-9(8)16)12(15)20-13(19-11)7(5-17)6-18-20/h1-4,6H
InChIKeyREYUCNQYUNYUBB-UHFFFAOYSA-N
MW307.12 g/mol
LogP3.71
Rot. Bonds1

About 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 114514536) has the molecular formula C13H5Cl2FN4 and a molecular weight of 307.12 g/mol. Its IUPAC name is 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID114514536
Molecular FormulaC13H5Cl2FN4
Molecular Weight307.12 g/mol
Exact Mass305.99
IUPAC Name5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(Cl)c(-c3ccccc3F)c(Cl)nc12
InChIInChI=1S/C13H5Cl2FN4/c14-11-10(8-3-1-2-4-9(8)16)12(15)20-13(19-11)7(5-17)6-18-20/h1-4,6H
InChIKeyREYUCNQYUNYUBB-UHFFFAOYSA-N
XLogP3.71
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 114514536) is 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(Cl)c(-c3ccccc3F)c(Cl)nc12.
What is the InChIKey of 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is REYUCNQYUNYUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2FN4/c14-11-10(8-3-1-2-4-9(8)16)12(15)20-13(19-11)7(5-17)6-18-20/h1-4,6H.
What are the key properties of 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 307.12 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 114514536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).