5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine

C12H13Cl2N3 — CID 82274678

IUPAC5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine
SMILESClc1nc2ccnn2c(Cl)c1C1CCCCC1
InChIInChI=1S/C12H13Cl2N3/c13-11-10(8-4-2-1-3-5-8)12(14)17-9(16-11)6-7-15-17/h6-8H,1-5H2
InChIKeyIQKOBNMXVZHCMC-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.08
Rot. Bonds1

About 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274678) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine
PubChem CID82274678
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine
SMILESClc1nc2ccnn2c(Cl)c1C1CCCCC1
InChIInChI=1S/C12H13Cl2N3/c13-11-10(8-4-2-1-3-5-8)12(14)17-9(16-11)6-7-15-17/h6-8H,1-5H2
InChIKeyIQKOBNMXVZHCMC-UHFFFAOYSA-N
XLogP4.08
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine (CID 82274678) is 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine is Clc1nc2ccnn2c(Cl)c1C1CCCCC1.
What is the InChIKey of 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine?
The InChIKey is IQKOBNMXVZHCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c13-11-10(8-4-2-1-3-5-8)12(14)17-9(16-11)6-7-15-17/h6-8H,1-5H2.
What are the key properties of 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine has a molecular weight of 270.16 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).