3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine

C12H13BrClN3 — CID 21035741

IUPAC3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCCCC2)nc2c(Br)cnn12
InChIInChI=1S/C12H13BrClN3/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyLSGCRQRZXKVBRG-UHFFFAOYSA-N
MW314.61 g/mol
LogP4.19
Rot. Bonds1

About 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine (PubChem CID 21035741) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine
PubChem CID21035741
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CCCCC2)nc2c(Br)cnn12
InChIInChI=1S/C12H13BrClN3/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyLSGCRQRZXKVBRG-UHFFFAOYSA-N
XLogP4.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine (CID 21035741) is 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine is Clc1cc(C2CCCCC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LSGCRQRZXKVBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c13-9-7-15-17-11(14)6-10(16-12(9)17)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine has a molecular weight of 314.61 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-5-cyclohexylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21035741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).