4-chloro-5-cyclobutyl-1H-pyrazole

C7H9ClN2 — CID 119055024

IUPAC4-chloro-5-cyclobutyl-1H-pyrazole
SMILESClc1cn[nH]c1C1CCC1
InChIInChI=1S/C7H9ClN2/c8-6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)
InChIKeyCPTKZVJLYZFKEZ-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-5-cyclobutyl-1H-pyrazole

4-chloro-5-cyclobutyl-1H-pyrazole (PubChem CID 119055024) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 4-chloro-5-cyclobutyl-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-cyclobutyl-1H-pyrazole
PubChem CID119055024
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name4-chloro-5-cyclobutyl-1H-pyrazole
SMILESClc1cn[nH]c1C1CCC1
InChIInChI=1S/C7H9ClN2/c8-6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)
InChIKeyCPTKZVJLYZFKEZ-UHFFFAOYSA-N
XLogP2.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-cyclobutyl-1H-pyrazole?
The IUPAC name of 4-chloro-5-cyclobutyl-1H-pyrazole (CID 119055024) is 4-chloro-5-cyclobutyl-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-cyclobutyl-1H-pyrazole?
The canonical SMILES for 4-chloro-5-cyclobutyl-1H-pyrazole is Clc1cn[nH]c1C1CCC1.
What is the InChIKey of 4-chloro-5-cyclobutyl-1H-pyrazole?
The InChIKey is CPTKZVJLYZFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c8-6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10).
What are the key properties of 4-chloro-5-cyclobutyl-1H-pyrazole?
4-chloro-5-cyclobutyl-1H-pyrazole has a molecular weight of 156.62 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-cyclobutyl-1H-pyrazole is sourced from PubChem (CID 119055024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).