4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine

C12H18BrN5 — CID 12763841

IUPAC4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
SMILESBrc1cnn(C2CCCCC2)c1NC1=NCCN1
InChIInChI=1S/C12H18BrN5/c13-10-8-16-18(9-4-2-1-3-5-9)11(10)17-12-14-6-7-15-12/h8-9H,1-7H2,(H2,14,15,17)
InChIKeyRVKSIWRZELWJFF-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.52
Rot. Bonds2

About 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine

4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine (PubChem CID 12763841) has the molecular formula C12H18BrN5 and a molecular weight of 312.22 g/mol. Its IUPAC name is 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
PubChem CID12763841
Molecular FormulaC12H18BrN5
Molecular Weight312.22 g/mol
Exact Mass311.07
IUPAC Name4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
SMILESBrc1cnn(C2CCCCC2)c1NC1=NCCN1
InChIInChI=1S/C12H18BrN5/c13-10-8-16-18(9-4-2-1-3-5-9)11(10)17-12-14-6-7-15-12/h8-9H,1-7H2,(H2,14,15,17)
InChIKeyRVKSIWRZELWJFF-UHFFFAOYSA-N
XLogP2.52
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The IUPAC name of 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine (CID 12763841) is 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine is Brc1cnn(C2CCCCC2)c1NC1=NCCN1.
What is the InChIKey of 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The InChIKey is RVKSIWRZELWJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5/c13-10-8-16-18(9-4-2-1-3-5-9)11(10)17-12-14-6-7-15-12/h8-9H,1-7H2,(H2,14,15,17).
What are the key properties of 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine has a molecular weight of 312.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclohexyl-N-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 12763841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).