5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

C7H2Cl2N4 — CID 45480447

IUPAC5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(Cl)cc(Cl)nc12
InChIInChI=1S/C7H2Cl2N4/c8-5-1-6(9)13-7(12-5)4(2-10)3-11-13/h1,3H
InChIKeyKDFQVEDUSUYBCO-UHFFFAOYSA-N
MW213.03 g/mol
LogP1.91
Rot. Bonds

About 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 45480447) has the molecular formula C7H2Cl2N4 and a molecular weight of 213.03 g/mol. Its IUPAC name is 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID45480447
Molecular FormulaC7H2Cl2N4
Molecular Weight213.03 g/mol
Exact Mass211.97
IUPAC Name5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(Cl)cc(Cl)nc12
InChIInChI=1S/C7H2Cl2N4/c8-5-1-6(9)13-7(12-5)4(2-10)3-11-13/h1,3H
InChIKeyKDFQVEDUSUYBCO-UHFFFAOYSA-N
XLogP1.91
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 45480447) is 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(Cl)cc(Cl)nc12.
What is the InChIKey of 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is KDFQVEDUSUYBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N4/c8-5-1-6(9)13-7(12-5)4(2-10)3-11-13/h1,3H.
What are the key properties of 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 213.03 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 45480447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).