4-bromo-1-cyclohexylpyrazol-3-amine

C9H14BrN3 — CID 61177536

IUPAC4-bromo-1-cyclohexylpyrazol-3-amine
SMILESNc1nn(C2CCCCC2)cc1Br
InChIInChI=1S/C9H14BrN3/c10-8-6-13(12-9(8)11)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12)
InChIKeyAYCFPVHMYBRJLW-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.73
Rot. Bonds1

About 4-bromo-1-cyclohexylpyrazol-3-amine

4-bromo-1-cyclohexylpyrazol-3-amine (PubChem CID 61177536) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 4-bromo-1-cyclohexylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-cyclohexylpyrazol-3-amine
PubChem CID61177536
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name4-bromo-1-cyclohexylpyrazol-3-amine
SMILESNc1nn(C2CCCCC2)cc1Br
InChIInChI=1S/C9H14BrN3/c10-8-6-13(12-9(8)11)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12)
InChIKeyAYCFPVHMYBRJLW-UHFFFAOYSA-N
XLogP2.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclohexylpyrazol-3-amine?
The IUPAC name of 4-bromo-1-cyclohexylpyrazol-3-amine (CID 61177536) is 4-bromo-1-cyclohexylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-cyclohexylpyrazol-3-amine?
The canonical SMILES for 4-bromo-1-cyclohexylpyrazol-3-amine is Nc1nn(C2CCCCC2)cc1Br.
What is the InChIKey of 4-bromo-1-cyclohexylpyrazol-3-amine?
The InChIKey is AYCFPVHMYBRJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c10-8-6-13(12-9(8)11)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,11,12).
What are the key properties of 4-bromo-1-cyclohexylpyrazol-3-amine?
4-bromo-1-cyclohexylpyrazol-3-amine has a molecular weight of 244.14 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclohexylpyrazol-3-amine is sourced from PubChem (CID 61177536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).