2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium

C10H11N2Re- — CID 169165115

IUPAC2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium
SMILESCC(C)c1[c-]c2ccccn2n1.[Re]
InChIInChI=1S/C10H11N2.Re/c1-8(2)10-7-9-5-3-4-6-12(9)11-10;/h3-6,8H,1-2H3;/q-1;
InChIKeyXIIOSLMXPUSLAR-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.26
Rot. Bonds1

About 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium

2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium (PubChem CID 169165115) has the molecular formula C10H11N2Re- and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium.

Molecular Properties

Compound Name2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium
PubChem CID169165115
Molecular FormulaC10H11N2Re-
Molecular Weight345.42 g/mol
Exact Mass346.05
IUPAC Name2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium
SMILESCC(C)c1[c-]c2ccccn2n1.[Re]
InChIInChI=1S/C10H11N2.Re/c1-8(2)10-7-9-5-3-4-6-12(9)11-10;/h3-6,8H,1-2H3;/q-1;
InChIKeyXIIOSLMXPUSLAR-UHFFFAOYSA-N
XLogP2.26
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.26
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

7-Ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene
CID 144954959
1-Methyl-6-methylidene-3-propan-2-ylpyridazine
CID 58334537
2-Methyl-3,3a-dihydroindazole
CID 69411514
3-Methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 117711234
4-Bromo-2,7-dimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123320471
3,5-Dimethyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 123942194
3H-pyrazolo[1,2-b][1,2,3]benzotriazine
CID 123981087
6-ethenyl-3-propan-2-yl-1-[(Z)-prop-1-enyl]-4H-pyridazine
CID 134286518
3-Methyl-3,3a-dihydropyrazolo[1,5-a]pyridine
CID 134448019
1-Methyl-6-methylidene-3-prop-1-en-2-ylpyridazine
CID 143480957
Ethane;7-ethyl-4-fluoro-9-methyl-7,8-diazabicyclo[4.3.1]deca-2,4,6(10),8-tetraene
CID 144954958
1,3,5-Trimethyl-5,6-dihydroindazole
CID 146477699

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium?
The IUPAC name of 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium (CID 169165115) is 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium.
What is the SMILES notation for 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium?
The canonical SMILES for 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium is CC(C)c1[c-]c2ccccn2n1.[Re].
What is the InChIKey of 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium?
The InChIKey is XIIOSLMXPUSLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2.Re/c1-8(2)10-7-9-5-3-4-6-12(9)11-10;/h3-6,8H,1-2H3;/q-1;.
What are the key properties of 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium?
2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium has a molecular weight of 345.42 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3H-pyrazolo[1,5-a]pyridin-3-ide;rhenium is sourced from PubChem (CID 169165115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).