1,5-dimethylpyrazole-3-carboxylic acid;iridium

C6H8IrN2O2 — CID 59657074

IUPAC1,5-dimethylpyrazole-3-carboxylic acid;iridium
SMILESCc1cc(C(=O)O)nn1C.[Ir]
InChIInChI=1S/C6H8N2O2.Ir/c1-4-3-5(6(9)10)7-8(4)2;/h3H,1-2H3,(H,9,10);
InChIKeyGCEDDDBEUHPYAO-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.42
Rot. Bonds1

About 1,5-dimethylpyrazole-3-carboxylic acid;iridium

1,5-dimethylpyrazole-3-carboxylic acid;iridium (PubChem CID 59657074) has the molecular formula C6H8IrN2O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,5-dimethylpyrazole-3-carboxylic acid;iridium.

Molecular Properties

Compound Name1,5-dimethylpyrazole-3-carboxylic acid;iridium
PubChem CID59657074
Molecular FormulaC6H8IrN2O2
Molecular Weight332.36 g/mol
Exact Mass333.02
IUPAC Name1,5-dimethylpyrazole-3-carboxylic acid;iridium
SMILESCc1cc(C(=O)O)nn1C.[Ir]
InChIInChI=1S/C6H8N2O2.Ir/c1-4-3-5(6(9)10)7-8(4)2;/h3H,1-2H3,(H,9,10);
InChIKeyGCEDDDBEUHPYAO-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 159984372
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CID 113263077
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one
CID 126974372
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
tert-butyl 1,5-dimethylpyrazole-3-carboxylate
CID 130485579
(1,5-dimethylpyrazol-3-yl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130530261
1-methyl-5-(sulfanylmethyl)pyrazole-3-carboxylic acid
CID 117217191
carbon dioxide;ethyl 1,5-dimethylpyrazole-3-carboxylate
CID 160757130
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine
CID 136983537

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyrazole-3-carboxylic acid;iridium?
The IUPAC name of 1,5-dimethylpyrazole-3-carboxylic acid;iridium (CID 59657074) is 1,5-dimethylpyrazole-3-carboxylic acid;iridium.
What is the SMILES notation for 1,5-dimethylpyrazole-3-carboxylic acid;iridium?
The canonical SMILES for 1,5-dimethylpyrazole-3-carboxylic acid;iridium is Cc1cc(C(=O)O)nn1C.[Ir].
What is the InChIKey of 1,5-dimethylpyrazole-3-carboxylic acid;iridium?
The InChIKey is GCEDDDBEUHPYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.Ir/c1-4-3-5(6(9)10)7-8(4)2;/h3H,1-2H3,(H,9,10);.
What are the key properties of 1,5-dimethylpyrazole-3-carboxylic acid;iridium?
1,5-dimethylpyrazole-3-carboxylic acid;iridium has a molecular weight of 332.36 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyrazole-3-carboxylic acid;iridium is sourced from PubChem (CID 59657074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).