1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine

C12H12BrN5 — CID 57391504

IUPAC1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCN2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN5/c13-8-1-3-9(4-2-8)18-11(14)10(7-17-18)12-15-5-6-16-12/h1-4,7H,5-6,14H2,(H,15,16)
InChIKeyQCLPUTBXENNSJH-UHFFFAOYSA-N
MW306.17 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine

1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine (PubChem CID 57391504) has the molecular formula C12H12BrN5 and a molecular weight of 306.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
PubChem CID57391504
Molecular FormulaC12H12BrN5
Molecular Weight306.17 g/mol
Exact Mass305.03
IUPAC Name1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCN2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN5/c13-8-1-3-9(4-2-8)18-11(14)10(7-17-18)12-15-5-6-16-12/h1-4,7H,5-6,14H2,(H,15,16)
InChIKeyQCLPUTBXENNSJH-UHFFFAOYSA-N
XLogP1.57
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine (CID 57391504) is 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine is Nc1c(C2=NCCN2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
The InChIKey is QCLPUTBXENNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5/c13-8-1-3-9(4-2-8)18-11(14)10(7-17-18)12-15-5-6-16-12/h1-4,7H,5-6,14H2,(H,15,16).
What are the key properties of 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine?
1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine has a molecular weight of 306.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 57391504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).