1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole

C12H11BrN4 — CID 57394916

IUPAC1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole
SMILESBrc1cccc(-n2cc(C3=NCCN3)cn2)c1
InChIInChI=1S/C12H11BrN4/c13-10-2-1-3-11(6-10)17-8-9(7-16-17)12-14-4-5-15-12/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyKCRPPJOVZJBDAW-UHFFFAOYSA-N
MW291.15 g/mol
LogP1.98
Rot. Bonds2

About 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole

1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole (PubChem CID 57394916) has the molecular formula C12H11BrN4 and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole
PubChem CID57394916
Molecular FormulaC12H11BrN4
Molecular Weight291.15 g/mol
Exact Mass290.02
IUPAC Name1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole
SMILESBrc1cccc(-n2cc(C3=NCCN3)cn2)c1
InChIInChI=1S/C12H11BrN4/c13-10-2-1-3-11(6-10)17-8-9(7-16-17)12-14-4-5-15-12/h1-3,6-8H,4-5H2,(H,14,15)
InChIKeyKCRPPJOVZJBDAW-UHFFFAOYSA-N
XLogP1.98
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole?
The IUPAC name of 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole (CID 57394916) is 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole.
What is the SMILES notation for 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole?
The canonical SMILES for 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole is Brc1cccc(-n2cc(C3=NCCN3)cn2)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole?
The InChIKey is KCRPPJOVZJBDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4/c13-10-2-1-3-11(6-10)17-8-9(7-16-17)12-14-4-5-15-12/h1-3,6-8H,4-5H2,(H,14,15).
What are the key properties of 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole?
1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole has a molecular weight of 291.15 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)pyrazole is sourced from PubChem (CID 57394916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).