ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine

C22H39N3 — CID 143401395

IUPACethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine
SMILESC=Cc1cc(-c2ccn[nH]2)nc(C)c1/C=C\C.CC.CC.CC.CC
InChIInChI=1S/C14H15N3.4C2H6/c1-4-6-12-10(3)16-14(9-11(12)5-2)13-7-8-15-17-13;4*1-2/h4-9H,2H2,1,3H3,(H,15,17);4*1-2H3/b6-4-;;;;
InChIKeyHHQBMJMHTVGFNK-RGYKDBBASA-N
MW345.58 g/mol
LogP7.56
Rot. Bonds3

About ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine

ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine (PubChem CID 143401395) has the molecular formula C22H39N3 and a molecular weight of 345.58 g/mol. Its IUPAC name is ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Nameethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine
PubChem CID143401395
Molecular FormulaC22H39N3
Molecular Weight345.58 g/mol
Exact Mass345.31
IUPAC Nameethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine
SMILESC=Cc1cc(-c2ccn[nH]2)nc(C)c1/C=C\C.CC.CC.CC.CC
InChIInChI=1S/C14H15N3.4C2H6/c1-4-6-12-10(3)16-14(9-11(12)5-2)13-7-8-15-17-13;4*1-2/h4-9H,2H2,1,3H3,(H,15,17);4*1-2H3/b6-4-;;;;
InChIKeyHHQBMJMHTVGFNK-RGYKDBBASA-N
XLogP7.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.58
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine (CID 143401395) is ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine is C=Cc1cc(-c2ccn[nH]2)nc(C)c1/C=C\C.CC.CC.CC.CC.
What is the InChIKey of ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine?
The InChIKey is HHQBMJMHTVGFNK-RGYKDBBASA-N. The full InChI is InChI=1S/C14H15N3.4C2H6/c1-4-6-12-10(3)16-14(9-11(12)5-2)13-7-8-15-17-13;4*1-2/h4-9H,2H2,1,3H3,(H,15,17);4*1-2H3/b6-4-;;;;.
What are the key properties of ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine?
ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine has a molecular weight of 345.58 g/mol, XLogP of 7.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]-6-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 143401395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).