1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium

C10H8BrIrN2- — CID 155646446

IUPAC1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium
SMILESCc1ccn(-c2[c-]ccc(Br)c2)n1.[Ir]
InChIInChI=1S/C10H8BrN2.Ir/c1-8-5-6-13(12-8)10-4-2-3-9(11)7-10;/h2-3,5-7H,1H3;/q-1;
InChIKeyUBDOWJHOSNTQQM-UHFFFAOYSA-N
MW428.31 g/mol
LogP2.74
Rot. Bonds1

About 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium

1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium (PubChem CID 155646446) has the molecular formula C10H8BrIrN2- and a molecular weight of 428.31 g/mol. Its IUPAC name is 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium.

Molecular Properties

Compound Name1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium
PubChem CID155646446
Molecular FormulaC10H8BrIrN2-
Molecular Weight428.31 g/mol
Exact Mass427.95
IUPAC Name1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium
SMILESCc1ccn(-c2[c-]ccc(Br)c2)n1.[Ir]
InChIInChI=1S/C10H8BrN2.Ir/c1-8-5-6-13(12-8)10-4-2-3-9(11)7-10;/h2-3,5-7H,1H3;/q-1;
InChIKeyUBDOWJHOSNTQQM-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(3-methylpyrazol-1-yl)aniline
CID 62492609
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanone
CID 82966911
5-bromo-2-(3-methylpyrazol-1-yl)benzoic acid
CID 114896062
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 82967919
1-[2,4-dimethyl-5-(3-methylpyrazol-1-yl)benzene-6-id-1-yl]-3-methylpyrazole
CID 102401866
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 114061991
3-bromo-5-(3-methylpyrazol-1-yl)benzoic acid
CID 102823509
3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline
CID 106890917
6-bromo-2-(3-methylpyrazol-1-yl)-3H-quinazolin-4-one
CID 135782169
(E)-3-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]prop-2-enoic acid
CID 55078831
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
5-bromo-2-methylpyrazolo[1,5-a]pyridine
CID 82394705

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium?
The IUPAC name of 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium (CID 155646446) is 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium.
What is the SMILES notation for 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium?
The canonical SMILES for 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium is Cc1ccn(-c2[c-]ccc(Br)c2)n1.[Ir].
What is the InChIKey of 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium?
The InChIKey is UBDOWJHOSNTQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN2.Ir/c1-8-5-6-13(12-8)10-4-2-3-9(11)7-10;/h2-3,5-7H,1H3;/q-1;.
What are the key properties of 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium?
1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium has a molecular weight of 428.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromobenzene-6-id-1-yl)-3-methylpyrazole;iridium is sourced from PubChem (CID 155646446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).