ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine

C13H21N3 — CID 144864305

IUPACethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCC.CC.Cc1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H9N3.2C2H6/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3
InChIKeyFODIKQARRCLEEU-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.83
Rot. Bonds1

About ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine

ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine (PubChem CID 144864305) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Nameethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
PubChem CID144864305
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Nameethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCC.CC.Cc1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H9N3.2C2H6/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3
InChIKeyFODIKQARRCLEEU-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine?
The IUPAC name of ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine (CID 144864305) is ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine is CC.CC.Cc1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine?
The InChIKey is FODIKQARRCLEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.2C2H6/c1-7-6-9(12-11-7)8-2-4-10-5-3-8;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine?
ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine has a molecular weight of 219.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 144864305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).