2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine

C18H18N4 — CID 176997644

IUPAC2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine
SMILESC/C(=C\c1cnccc1C)c1ccnn1-c1cccc(C)n1
InChIInChI=1S/C18H18N4/c1-13-7-9-19-12-16(13)11-14(2)17-8-10-20-22(17)18-6-4-5-15(3)21-18/h4-12H,1-3H3/b14-11+
InChIKeyFBTKNHLPVBYHNF-SDNWHVSQSA-N
MW290.37 g/mol
LogP3.84
Rot. Bonds3

About 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine

2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine (PubChem CID 176997644) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine
PubChem CID176997644
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine
SMILESC/C(=C\c1cnccc1C)c1ccnn1-c1cccc(C)n1
InChIInChI=1S/C18H18N4/c1-13-7-9-19-12-16(13)11-14(2)17-8-10-20-22(17)18-6-4-5-15(3)21-18/h4-12H,1-3H3/b14-11+
InChIKeyFBTKNHLPVBYHNF-SDNWHVSQSA-N
XLogP3.84
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine
CID 143600723
2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine
CID 67246096
6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine
CID 169429062
2-methyl-6-(triazol-2-yl)pyridine
CID 46209957
(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine
CID 103092887
2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine
CID 141201596
(E)-2-amino-3-(4-methyl-3-pyridinyl)prop-2-enoic acid
CID 104830952
N-methyl-6-[2-(6-methyl-2-pyridinyl)pyrazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169074327
1-(6-methyl-2-pyridinyl)pyrazolo[4,3-c]pyridin-7-amine
CID 118664004
(NZ)-N-[(4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 5355244
5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357
3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine
CID 134566553

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine?
The IUPAC name of 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine (CID 176997644) is 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine?
The canonical SMILES for 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine is C/C(=C\c1cnccc1C)c1ccnn1-c1cccc(C)n1.
What is the InChIKey of 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine?
The InChIKey is FBTKNHLPVBYHNF-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H18N4/c1-13-7-9-19-12-16(13)11-14(2)17-8-10-20-22(17)18-6-4-5-15(3)21-18/h4-12H,1-3H3/b14-11+.
What are the key properties of 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine?
2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine has a molecular weight of 290.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-[(E)-1-(4-methyl-3-pyridinyl)prop-1-en-2-yl]pyrazol-1-yl]pyridine is sourced from PubChem (CID 176997644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).