3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine

C13H15BrClN3 — CID 21035742

IUPAC3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(CC2CCCCC2)nc2c(Br)cnn12
InChIInChI=1S/C13H15BrClN3/c14-11-8-16-18-12(15)7-10(17-13(11)18)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyFEZBPMVNYMTCCW-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.27
Rot. Bonds2

About 3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine

3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 21035742) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID21035742
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cc(CC2CCCCC2)nc2c(Br)cnn12
InChIInChI=1S/C13H15BrClN3/c14-11-8-16-18-12(15)7-10(17-13(11)18)6-9-4-2-1-3-5-9/h7-9H,1-6H2
InChIKeyFEZBPMVNYMTCCW-UHFFFAOYSA-N
XLogP4.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.27
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-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine (CID 21035742) is 3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine is Clc1cc(CC2CCCCC2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FEZBPMVNYMTCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c14-11-8-16-18-12(15)7-10(17-13(11)18)6-9-4-2-1-3-5-9/h7-9H,1-6H2.
What are the key properties of 3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine?
3-bromo-7-chloro-5-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 328.64 g/mol, XLogP of 4.27, 2 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-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21035742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).