ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene

C16H23N3 — CID 145347439

IUPACethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.CC.Cc1ccn(-c2ccccn2)n1
InChIInChI=1S/C9H9N3.C5H8.C2H6/c1-8-5-7-12(11-8)9-4-2-3-6-10-9;1-3-5-4-2;1-2/h2-7H,1H3;3-5H,1H2,2H3;1-2H3/b;5-4-;
InChIKeyFTYQQRPJDUSFBF-FXHNQCOHSA-N
MW257.38 g/mol
LogP4.35
Rot. Bonds2

About ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene

ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene (PubChem CID 145347439) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Nameethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene
PubChem CID145347439
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Nameethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.CC.Cc1ccn(-c2ccccn2)n1
InChIInChI=1S/C9H9N3.C5H8.C2H6/c1-8-5-7-12(11-8)9-4-2-3-6-10-9;1-3-5-4-2;1-2/h2-7H,1H3;3-5H,1H2,2H3;1-2H3/b;5-4-;
InChIKeyFTYQQRPJDUSFBF-FXHNQCOHSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methyl-1-phenylpyrazole
CID 91357840
2-(3-nitrosopyrazol-1-yl)pyridine
CID 151027458
2-(3-methylpyrazol-1-yl)pyridin-4-amine
CID 62494645
2-[3-[(E)-2-(4-chlorophenyl)ethenyl]pyrazol-1-yl]pyridine
CID 56929892
2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine
CID 57213945
2-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487252
2-[3-[3-(3-phenylphenyl)phenyl]pyrazol-1-yl]pyridine
CID 172854391
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
5-methoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
CID 135465524
2-(tetrazol-1-yl)pyridine
CID 11679840
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
N-[4-(3-methylpyrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 16764916

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene?
The IUPAC name of ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene (CID 145347439) is ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene.
What is the SMILES notation for ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene?
The canonical SMILES for ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene is C=C/C=C\C.CC.Cc1ccn(-c2ccccn2)n1.
What is the InChIKey of ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene?
The InChIKey is FTYQQRPJDUSFBF-FXHNQCOHSA-N. The full InChI is InChI=1S/C9H9N3.C5H8.C2H6/c1-8-5-7-12(11-8)9-4-2-3-6-10-9;1-3-5-4-2;1-2/h2-7H,1H3;3-5H,1H2,2H3;1-2H3/b;5-4-;.
What are the key properties of ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene?
ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene has a molecular weight of 257.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene is sourced from PubChem (CID 145347439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).