4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine

C12H20BrN5 — CID 12763842

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine
SMILESCC(C)c1nn(C(C)C)c(NC2=NCCN2)c1Br
InChIInChI=1S/C12H20BrN5/c1-7(2)10-9(13)11(18(17-10)8(3)4)16-12-14-5-6-15-12/h7-8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyOBEZVOBUTRQVEA-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.72
Rot. Bonds3

About 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine (PubChem CID 12763842) has the molecular formula C12H20BrN5 and a molecular weight of 314.23 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine
PubChem CID12763842
Molecular FormulaC12H20BrN5
Molecular Weight314.23 g/mol
Exact Mass313.09
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine
SMILESCC(C)c1nn(C(C)C)c(NC2=NCCN2)c1Br
InChIInChI=1S/C12H20BrN5/c1-7(2)10-9(13)11(18(17-10)8(3)4)16-12-14-5-6-15-12/h7-8H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeyOBEZVOBUTRQVEA-UHFFFAOYSA-N
XLogP2.72
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine (CID 12763842) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine is CC(C)c1nn(C(C)C)c(NC2=NCCN2)c1Br.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine?
The InChIKey is OBEZVOBUTRQVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5/c1-7(2)10-9(13)11(18(17-10)8(3)4)16-12-14-5-6-15-12/h7-8H,5-6H2,1-4H3,(H2,14,15,16).
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine has a molecular weight of 314.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-di(propan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 12763842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).