methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium

C17H23N4O4+ — CID 143232394

IUPACmethoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(OCCN2CCOCC2)c(-c2ccnn2C)c1
InChIInChI=1S/C17H23N4O4/c1-19-16(5-6-18-19)15-13-14(21(22)23-2)3-4-17(15)25-12-9-20-7-10-24-11-8-20/h3-6,13H,7-12H2,1-2H3/q+1
InChIKeyVSXNBLBHBHTRQH-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.77
Rot. Bonds7

About methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium

methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium (PubChem CID 143232394) has the molecular formula C17H23N4O4+ and a molecular weight of 347.40 g/mol. Its IUPAC name is methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium
PubChem CID143232394
Molecular FormulaC17H23N4O4+
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC Namemethoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium
SMILESCO[N+](=O)c1ccc(OCCN2CCOCC2)c(-c2ccnn2C)c1
InChIInChI=1S/C17H23N4O4/c1-19-16(5-6-18-19)15-13-14(21(22)23-2)3-4-17(15)25-12-9-20-7-10-24-11-8-20/h3-6,13H,7-12H2,1-2H3/q+1
InChIKeyVSXNBLBHBHTRQH-UHFFFAOYSA-N
XLogP1.77
TPSA68.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486657
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)urea
CID 45486658
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 45486665
1-(3-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486672
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 45486696
1-(4-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486713
1-(3,5-difluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486727
1-(4-(2-(diethylamino)ethoxy)-3-(1-methyl-1H-pyrazol-5-yl)phenyl)-3-(4-fluorophenyl)urea
CID 45486732
(E)-1-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine
CID 6880447
1-(2-fluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 11517754
1-(3-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486652
1-(2,4-difluorophenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486711

Frequently Asked Questions

What is the IUPAC name of methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium?
The IUPAC name of methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium (CID 143232394) is methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium.
What is the SMILES notation for methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium?
The canonical SMILES for methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium is CO[N+](=O)c1ccc(OCCN2CCOCC2)c(-c2ccnn2C)c1.
What is the InChIKey of methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium?
The InChIKey is VSXNBLBHBHTRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N4O4/c1-19-16(5-6-18-19)15-13-14(21(22)23-2)3-4-17(15)25-12-9-20-7-10-24-11-8-20/h3-6,13H,7-12H2,1-2H3/q+1.
What are the key properties of methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium?
methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium has a molecular weight of 347.40 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-oxoazanium is sourced from PubChem (CID 143232394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).