4-bromo-1-(cyclohexylmethyl)pyrazole

C10H15BrN2 — CID 46739498

IUPAC4-bromo-1-(cyclohexylmethyl)pyrazole
SMILESBrc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C10H15BrN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKeyIESGDCLQIZINEU-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.23
Rot. Bonds2

About 4-bromo-1-(cyclohexylmethyl)pyrazole

4-bromo-1-(cyclohexylmethyl)pyrazole (PubChem CID 46739498) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-bromo-1-(cyclohexylmethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(cyclohexylmethyl)pyrazole
PubChem CID46739498
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-bromo-1-(cyclohexylmethyl)pyrazole
SMILESBrc1cnn(CC2CCCCC2)c1
InChIInChI=1S/C10H15BrN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2
InChIKeyIESGDCLQIZINEU-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(cyclohexylmethyl)pyrazole?
The IUPAC name of 4-bromo-1-(cyclohexylmethyl)pyrazole (CID 46739498) is 4-bromo-1-(cyclohexylmethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(cyclohexylmethyl)pyrazole?
The canonical SMILES for 4-bromo-1-(cyclohexylmethyl)pyrazole is Brc1cnn(CC2CCCCC2)c1.
What is the InChIKey of 4-bromo-1-(cyclohexylmethyl)pyrazole?
The InChIKey is IESGDCLQIZINEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2.
What are the key properties of 4-bromo-1-(cyclohexylmethyl)pyrazole?
4-bromo-1-(cyclohexylmethyl)pyrazole has a molecular weight of 243.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(cyclohexylmethyl)pyrazole is sourced from PubChem (CID 46739498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).