ethane;2-(5-methylpyrazol-1-yl)pyridine

C13H21N3 — CID 90883598

IUPACethane;2-(5-methylpyrazol-1-yl)pyridine
SMILESCC.CC.Cc1ccnn1-c1ccccn1
InChIInChI=1S/C9H9N3.2C2H6/c1-8-5-7-11-12(8)9-4-2-3-6-10-9;2*1-2/h2-7H,1H3;2*1-2H3
InChIKeyIEWBTGPRSCRSGB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.63
Rot. Bonds1

About ethane;2-(5-methylpyrazol-1-yl)pyridine

ethane;2-(5-methylpyrazol-1-yl)pyridine (PubChem CID 90883598) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;2-(5-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Nameethane;2-(5-methylpyrazol-1-yl)pyridine
PubChem CID90883598
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Nameethane;2-(5-methylpyrazol-1-yl)pyridine
SMILESCC.CC.Cc1ccnn1-c1ccccn1
InChIInChI=1S/C9H9N3.2C2H6/c1-8-5-7-11-12(8)9-4-2-3-6-10-9;2*1-2/h2-7H,1H3;2*1-2H3
InChIKeyIEWBTGPRSCRSGB-UHFFFAOYSA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1,2,4-triazol-1-yl)pyridine
CID 154284403
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
2-(5-methylpyrazol-1-yl)-6-phenoxypyridine
CID 58130262
6-(5-methylpyrazol-1-yl)pyridine-3-carbaldehyde
CID 164762774
2-(3-tert-butyl-5-methylpyrazol-1-yl)pyridine
CID 123989835
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanol
CID 66438330
5-methoxy-2-pyridin-2-yl-1,2,4-triazol-3-amine
CID 79872887
3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
CID 97179619
4-(1-fluoroethyl)-N-(2-pyridin-2-ylpyrazol-3-yl)benzenesulfonamide
CID 90285721
5-ethyl-3-methyl-1-pyridin-2-ylpyrazol-4-ol
CID 90747187
1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
CID 5200441
2-(3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 101498728

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-methylpyrazol-1-yl)pyridine?
The IUPAC name of ethane;2-(5-methylpyrazol-1-yl)pyridine (CID 90883598) is ethane;2-(5-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for ethane;2-(5-methylpyrazol-1-yl)pyridine?
The canonical SMILES for ethane;2-(5-methylpyrazol-1-yl)pyridine is CC.CC.Cc1ccnn1-c1ccccn1.
What is the InChIKey of ethane;2-(5-methylpyrazol-1-yl)pyridine?
The InChIKey is IEWBTGPRSCRSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.2C2H6/c1-8-5-7-11-12(8)9-4-2-3-6-10-9;2*1-2/h2-7H,1H3;2*1-2H3.
What are the key properties of ethane;2-(5-methylpyrazol-1-yl)pyridine?
ethane;2-(5-methylpyrazol-1-yl)pyridine has a molecular weight of 219.33 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 90883598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).