[3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid

C19H17N3O3 — CID 67373927

IUPAC[3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(CCc2nn(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C19H17N3O3/c23-18-11-12-22(16-7-2-1-3-8-16)21-17(18)10-9-14-5-4-6-15(13-14)20-19(24)25/h1-8,11-13,20H,9-10H2,(H,24,25)
InChIKeyHFADZDBQUTXSTE-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.11
Rot. Bonds5

About [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid

[3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid (PubChem CID 67373927) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid
PubChem CID67373927
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(CCc2nn(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C19H17N3O3/c23-18-11-12-22(16-7-2-1-3-8-16)21-17(18)10-9-14-5-4-6-15(13-14)20-19(24)25/h1-8,11-13,20H,9-10H2,(H,24,25)
InChIKeyHFADZDBQUTXSTE-UHFFFAOYSA-N
XLogP3.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridazinecarboxamide
CID 1481283
N-(2-fluorophenyl)-1-(3-methylphenyl)-4-oxo-1,4-dihydropyridazine-3-carboxamide
CID 16446889
2-methoxyethyl N-[3-[[1-(3-cyano-5-fluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 53307417
Ethyl(3-{[4-oxo-1-(3,4,5-trifluorophenyl)-1,4-dihydropyridazin-3-yl]methyl}phenyl)carbamate
CID 53308107
2-methylpropyl N-[3-[[4-oxo-1-(3,4,5-trifluorophenyl)pyridazin-3-yl]methyl]phenyl]carbamate
CID 53308182
propyl N-[3-[[4-oxo-1-(3,4,5-trifluorophenyl)pyridazin-3-yl]methyl]phenyl]carbamate
CID 53308183
ethyl N-[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 53308250
2-methylpropyl N-[3-[[1-(3,5-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 53308322
2-morpholin-4-ylethyl N-[3-[[1-(3,4-difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 53308326
[3-[[1-(3,5-Difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-ethylcarbamic acid
CID 67321519
[3-[[1-(3,5-Difluorophenyl)-4-oxopyridazin-3-yl]methyl]phenyl]-[3-(4-methylpiperazin-1-yl)propyl]carbamic acid
CID 67321670
Ethyl-[3-[fluoro-(4-oxo-1-phenylpyridazin-3-yl)methyl]phenyl]carbamic acid
CID 67321774

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid?
The IUPAC name of [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid (CID 67373927) is [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid.
What is the SMILES notation for [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid?
The canonical SMILES for [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid is O=C(O)Nc1cccc(CCc2nn(-c3ccccc3)ccc2=O)c1.
What is the InChIKey of [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid?
The InChIKey is HFADZDBQUTXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18-11-12-22(16-7-2-1-3-8-16)21-17(18)10-9-14-5-4-6-15(13-14)20-19(24)25/h1-8,11-13,20H,9-10H2,(H,24,25).
What are the key properties of [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid?
[3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid has a molecular weight of 335.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-oxo-1-phenylpyridazin-3-yl)ethyl]phenyl]carbamic acid is sourced from PubChem (CID 67373927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).