3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine

C22H25N3 — CID 162441271

IUPAC3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
SMILESC=Cc1c(C)cccc1CCc1cccnc1-c1ccnn1C(C)C
InChIInChI=1S/C22H25N3/c1-5-20-17(4)8-6-9-18(20)11-12-19-10-7-14-23-22(19)21-13-15-24-25(21)16(2)3/h5-10,13-16H,1,11-12H2,2-4H3
InChIKeyVAEANZWWINJIFA-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.26
Rot. Bonds6

About 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine

3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine (PubChem CID 162441271) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
PubChem CID162441271
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
SMILESC=Cc1c(C)cccc1CCc1cccnc1-c1ccnn1C(C)C
InChIInChI=1S/C22H25N3/c1-5-20-17(4)8-6-9-18(20)11-12-19-10-7-14-23-22(19)21-13-15-24-25(21)16(2)3/h5-10,13-16H,1,11-12H2,2-4H3
InChIKeyVAEANZWWINJIFA-UHFFFAOYSA-N
XLogP5.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
3-methoxy-5-[2-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 169285053
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 85471436
3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 90438097
2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
CID 129254370
2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzoic acid
CID 118869852
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
[2-[5-[3-[(2-ethenyl-3-methylphenoxy)methyl]-2-pyridinyl]pyrazol-1-yl]-1,1-difluoroethyl]phosphane
CID 170093745
5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde
CID 91885561
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
tert-butyl N-[2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenyl]carbamate
CID 129254362
2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzamide
CID 130308299

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The IUPAC name of 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine (CID 162441271) is 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine is C=Cc1c(C)cccc1CCc1cccnc1-c1ccnn1C(C)C.
What is the InChIKey of 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
The InChIKey is VAEANZWWINJIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-5-20-17(4)8-6-9-18(20)11-12-19-10-7-14-23-22(19)21-13-15-24-25(21)16(2)3/h5-10,13-16H,1,11-12H2,2-4H3.
What are the key properties of 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine?
3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine has a molecular weight of 331.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethenyl-3-methylphenyl)ethyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 162441271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).