4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine

C16H20N4O4 — CID 46832481

IUPAC4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine
SMILESCn1nccc1-c1cc([N+](=O)[O-])ccc1OCCN1CCOCC1
InChIInChI=1S/C16H20N4O4/c1-18-15(4-5-17-18)14-12-13(20(21)22)2-3-16(14)24-11-8-19-6-9-23-10-7-19/h2-5,12H,6-11H2,1H3
InChIKeyWOYCDRFDHBUBTA-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.71
Rot. Bonds6

About 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine

4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine (PubChem CID 46832481) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine
PubChem CID46832481
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine
SMILESCn1nccc1-c1cc([N+](=O)[O-])ccc1OCCN1CCOCC1
InChIInChI=1S/C16H20N4O4/c1-18-15(4-5-17-18)14-12-13(20(21)22)2-3-16(14)24-11-8-19-6-9-23-10-7-19/h2-5,12H,6-11H2,1H3
InChIKeyWOYCDRFDHBUBTA-UHFFFAOYSA-N
XLogP1.71
TPSA82.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine (CID 46832481) is 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine is Cn1nccc1-c1cc([N+](=O)[O-])ccc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine?
The InChIKey is WOYCDRFDHBUBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-18-15(4-5-17-18)14-12-13(20(21)22)2-3-16(14)24-11-8-19-6-9-23-10-7-19/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine?
4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine has a molecular weight of 332.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methylpyrazol-3-yl)-4-nitrophenoxy]ethyl]morpholine is sourced from PubChem (CID 46832481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).