4-bromo-5-cyclohexyl-1H-pyrazole

C9H13BrN2 — CID 61394823

IUPAC4-bromo-5-cyclohexyl-1H-pyrazole
SMILESBrc1cn[nH]c1C1CCCCC1
InChIInChI=1S/C9H13BrN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChIKeyJWEHPPBHYMETMF-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.22
Rot. Bonds1

About 4-bromo-5-cyclohexyl-1H-pyrazole

4-bromo-5-cyclohexyl-1H-pyrazole (PubChem CID 61394823) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 4-bromo-5-cyclohexyl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclohexyl-1H-pyrazole
PubChem CID61394823
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name4-bromo-5-cyclohexyl-1H-pyrazole
SMILESBrc1cn[nH]c1C1CCCCC1
InChIInChI=1S/C9H13BrN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)
InChIKeyJWEHPPBHYMETMF-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclohexyl-1H-pyrazole?
The IUPAC name of 4-bromo-5-cyclohexyl-1H-pyrazole (CID 61394823) is 4-bromo-5-cyclohexyl-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-cyclohexyl-1H-pyrazole?
The canonical SMILES for 4-bromo-5-cyclohexyl-1H-pyrazole is Brc1cn[nH]c1C1CCCCC1.
What is the InChIKey of 4-bromo-5-cyclohexyl-1H-pyrazole?
The InChIKey is JWEHPPBHYMETMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12).
What are the key properties of 4-bromo-5-cyclohexyl-1H-pyrazole?
4-bromo-5-cyclohexyl-1H-pyrazole has a molecular weight of 229.12 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclohexyl-1H-pyrazole is sourced from PubChem (CID 61394823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).