(2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane

C22H26F2N4 — CID 163302572

IUPAC(2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane
SMILESC=C(c1c(F)cccc1F)N1CCCN(C)/C1=C(\C=C/C)c1[nH]ncc1CC
InChIInChI=1S/C22H26F2N4/c1-5-9-17(21-16(6-2)14-25-26-21)22-27(4)12-8-13-28(22)15(3)20-18(23)10-7-11-19(20)24/h5,7,9-11,14H,3,6,8,12-13H2,1-2,4H3,(H,25,26)/b9-5-,22-17-
InChIKeyATYNOZLLAGKGCH-DAZFWKTASA-N
MW384.47 g/mol
LogP4.80
Rot. Bonds5

About (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane

(2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane (PubChem CID 163302572) has the molecular formula C22H26F2N4 and a molecular weight of 384.47 g/mol. Its IUPAC name is (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane.

Molecular Properties

Compound Name(2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane
PubChem CID163302572
Molecular FormulaC22H26F2N4
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Name(2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane
SMILESC=C(c1c(F)cccc1F)N1CCCN(C)/C1=C(\C=C/C)c1[nH]ncc1CC
InChIInChI=1S/C22H26F2N4/c1-5-9-17(21-16(6-2)14-25-26-21)22-27(4)12-8-13-28(22)15(3)20-18(23)10-7-11-19(20)24/h5,7,9-11,14H,3,6,8,12-13H2,1-2,4H3,(H,25,26)/b9-5-,22-17-
InChIKeyATYNOZLLAGKGCH-DAZFWKTASA-N
XLogP4.80
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane with MolForge

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Related Compounds

N-{[5-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]methyl}-N-Methylethane-1,2-Diamine
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N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
1-(4-fluorophenyl)-4-[(3-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 2812426
1-Benzyl-4-(5-methyl-1H-pyrazol-3-yl)-piperidine
CID 10587140
(2S)-1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-methyl-2-phenylpiperazine
CID 16192301
1-propyl-4-[3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]piperidine
CID 45488939
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
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4-[(4-fluorophenyl)methylidene]-1-[2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethyl]piperidine
CID 9886126
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 3915663
5-(2,6-difluorophenyl)-4-ethyl-1H-pyrazole
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3-(4-Fluorophenyl)-4-methyl-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane?
The IUPAC name of (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane (CID 163302572) is (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane.
What is the SMILES notation for (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane?
The canonical SMILES for (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane is C=C(c1c(F)cccc1F)N1CCCN(C)/C1=C(\C=C/C)c1[nH]ncc1CC.
What is the InChIKey of (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane?
The InChIKey is ATYNOZLLAGKGCH-DAZFWKTASA-N. The full InChI is InChI=1S/C22H26F2N4/c1-5-9-17(21-16(6-2)14-25-26-21)22-27(4)12-8-13-28(22)15(3)20-18(23)10-7-11-19(20)24/h5,7,9-11,14H,3,6,8,12-13H2,1-2,4H3,(H,25,26)/b9-5-,22-17-.
What are the key properties of (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane?
(2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane has a molecular weight of 384.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[1-(2,6-difluorophenyl)ethenyl]-2-[(Z)-1-(4-ethyl-1H-pyrazol-5-yl)but-2-enylidene]-3-methyl-1,3-diazinane is sourced from PubChem (CID 163302572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).