ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate

C19H21N5O4 — CID 123602536

IUPACethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(Cc2n[nH]cc(-c3cnn(CCO)c3)c2=O)c1
InChIInChI=1S/C19H21N5O4/c1-2-28-19(27)22-15-5-3-4-13(8-15)9-17-18(26)16(11-20-23-17)14-10-21-24(12-14)6-7-25/h3-5,8,10-12,25H,2,6-7,9H2,1H3,(H,20,26)(H,22,27)
InChIKeyGLEYYTGCHSMOHU-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.78
Rot. Bonds7

About ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate

ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate (PubChem CID 123602536) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate
PubChem CID123602536
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Nameethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(Cc2n[nH]cc(-c3cnn(CCO)c3)c2=O)c1
InChIInChI=1S/C19H21N5O4/c1-2-28-19(27)22-15-5-3-4-13(8-15)9-17-18(26)16(11-20-23-17)14-10-21-24(12-14)6-7-25/h3-5,8,10-12,25H,2,6-7,9H2,1H3,(H,20,26)(H,22,27)
InChIKeyGLEYYTGCHSMOHU-UHFFFAOYSA-N
XLogP1.78
TPSA122.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate with MolForge

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Related Compounds

2-methylpropyl N-[3-[[5-[1-(2-methylpropyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate
CID 123220446
2-methylpropyl N-[3-[[1-[1-(2-aminoethyl)pyrazol-4-yl]-4-oxopyridazin-3-yl]methyl]phenyl]carbamate
CID 70871374
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
1-[1-(2-hydroxyethyl)pyrazol-4-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111104607
ethyl N-[3-[[3-[4-(hydroxymethyl)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 25121651
ethyl N-[3-[[6-oxo-3-(3,4,5-trifluorophenyl)pyridazin-1-yl]methyl]phenyl]carbamate
CID 59406821
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-[3-[[3-[3,5-difluoro-4-(4-hydroxybutoxy)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 25127595
ethyl N-[3-[[3-[4-(4-hydroxybutylcarbamoyl)phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406774
ethyl N-[3-[[3-[3-[2-(4-hydroxybutylamino)-2-oxoethyl]phenyl]-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 59406656

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate (CID 123602536) is ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate is CCOC(=O)Nc1cccc(Cc2n[nH]cc(-c3cnn(CCO)c3)c2=O)c1.
What is the InChIKey of ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate?
The InChIKey is GLEYYTGCHSMOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-2-28-19(27)22-15-5-3-4-13(8-15)9-17-18(26)16(11-20-23-17)14-10-21-24(12-14)6-7-25/h3-5,8,10-12,25H,2,6-7,9H2,1H3,(H,20,26)(H,22,27).
What are the key properties of ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate?
ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate has a molecular weight of 383.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[5-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-oxo-1H-pyridazin-3-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 123602536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).