1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea

C18H21N7O — CID 122292682

IUPAC1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C18H21N7O/c1-2-14-6-3-4-7-15(14)22-18(26)20-12-11-19-16-8-9-17(24-23-16)25-13-5-10-21-25/h3-10,13H,2,11-12H2,1H3,(H,19,23)(H2,20,22,26)
InChIKeyONBKQLBGEBHGQY-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.46
Rot. Bonds7

About 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea

1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea (PubChem CID 122292682) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
PubChem CID122292682
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
SMILESCCc1ccccc1NC(=O)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C18H21N7O/c1-2-14-6-3-4-7-15(14)22-18(26)20-12-11-19-16-8-9-17(24-23-16)25-13-5-10-21-25/h3-10,13H,2,11-12H2,1H3,(H,19,23)(H2,20,22,26)
InChIKeyONBKQLBGEBHGQY-UHFFFAOYSA-N
XLogP2.46
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylphenyl)-3-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122307316
1-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122292701
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 47000825
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
N-(2-ethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514089
N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 16654512
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
1-(2-ethylphenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308482
(E)-3-(2-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]prop-2-enamide
CID 122292858
N-ethyl-6-pyrazol-1-ylpyridazin-3-amine
CID 130693230

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea (CID 122292682) is 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea is CCc1ccccc1NC(=O)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea?
The InChIKey is ONBKQLBGEBHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-2-14-6-3-4-7-15(14)22-18(26)20-12-11-19-16-8-9-17(24-23-16)25-13-5-10-21-25/h3-10,13H,2,11-12H2,1H3,(H,19,23)(H2,20,22,26).
What are the key properties of 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea?
1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea has a molecular weight of 351.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea is sourced from PubChem (CID 122292682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).