formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane

C22H32N4O3 — CID 163302712

IUPACformaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane
SMILESC=C/C(=C1/NCCCN1C)c1c(C)cnn1Cc1ccc(OC)cc1.C=O.CO
InChIInChI=1S/C20H26N4O.CH4O.CH2O/c1-5-18(20-21-11-6-12-23(20)3)19-15(2)13-22-24(19)14-16-7-9-17(25-4)10-8-16;2*1-2/h5,7-10,13,21H,1,6,11-12,14H2,2-4H3;2H,1H3;1H2/b20-18+;;
InChIKeyIRYADVAXGMAPIF-VIPPSAFOSA-N
MW400.52 g/mol
LogP2.45
Rot. Bonds5

About formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane

formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane (PubChem CID 163302712) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane.

Molecular Properties

Compound Nameformaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane
PubChem CID163302712
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Nameformaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane
SMILESC=C/C(=C1/NCCCN1C)c1c(C)cnn1Cc1ccc(OC)cc1.C=O.CO
InChIInChI=1S/C20H26N4O.CH4O.CH2O/c1-5-18(20-21-11-6-12-23(20)3)19-15(2)13-22-24(19)14-16-7-9-17(25-4)10-8-16;2*1-2/h5,7-10,13,21H,1,6,11-12,14H2,2-4H3;2H,1H3;1H2/b20-18+;;
InChIKeyIRYADVAXGMAPIF-VIPPSAFOSA-N
XLogP2.45
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate
CID 159506500
1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one
CID 122573879
2-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
CID 10330920
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
(2Z)-1-(4-methoxyphenyl)-2-(1-methyl-1,3-diazinan-2-ylidene)ethanone
CID 177488398
5-but-3-en-2-yl-1-[(4-methoxyphenyl)methyl]pyrazol-4-ol
CID 177454351
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081
5-ethenyl-2-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 165393026
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
CID 67434499
1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole
CID 166377375
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane?
The IUPAC name of formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane (CID 163302712) is formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane.
What is the SMILES notation for formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane?
The canonical SMILES for formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane is C=C/C(=C1/NCCCN1C)c1c(C)cnn1Cc1ccc(OC)cc1.C=O.CO.
What is the InChIKey of formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane?
The InChIKey is IRYADVAXGMAPIF-VIPPSAFOSA-N. The full InChI is InChI=1S/C20H26N4O.CH4O.CH2O/c1-5-18(20-21-11-6-12-23(20)3)19-15(2)13-22-24(19)14-16-7-9-17(25-4)10-8-16;2*1-2/h5,7-10,13,21H,1,6,11-12,14H2,2-4H3;2H,1H3;1H2/b20-18+;;.
What are the key properties of formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane?
formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane has a molecular weight of 400.52 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane is sourced from PubChem (CID 163302712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).