N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide

C19H21N5O4 — CID 87364188

IUPACN-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide
SMILESCON(C)C(=O)c1nn(-c2cnn(CCOCc3ccccc3)c2)ccc1=O
InChIInChI=1S/C19H21N5O4/c1-22(27-2)19(26)18-17(25)8-9-24(21-18)16-12-20-23(13-16)10-11-28-14-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyMZIOSPVLRIGGHX-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.28
Rot. Bonds8

About N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide

N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide (PubChem CID 87364188) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide
PubChem CID87364188
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide
SMILESCON(C)C(=O)c1nn(-c2cnn(CCOCc3ccccc3)c2)ccc1=O
InChIInChI=1S/C19H21N5O4/c1-22(27-2)19(26)18-17(25)8-9-24(21-18)16-12-20-23(13-16)10-11-28-14-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyMZIOSPVLRIGGHX-UHFFFAOYSA-N
XLogP1.28
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carbonyl]phenyl]carbamic acid
CID 70871408
1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]ethanone
CID 122240899
trans-tert-butyl (1S,3S)-2-methyl-3-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxylate
CID 135342751
2-(2-phenylmethoxyethyl)pyrazole-3-carboxylic acid
CID 137425411
1-(2-phenylmethoxyethyl)pyrrole-2-carboxylic acid
CID 137425559
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide
CID 3788448
2-methyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 3404846
N-methoxy-N-methyl-8-phenylmethoxyoctanamide
CID 169498132
ethane;1-(2-phenylmethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 163256208
1-(2-phenylmethoxyethyl)-4-[1,3,3,3-tetrafluoro-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]pyrazole
CID 171113787
N-methoxy-N-methyl-5-(phenylmethoxymethylamino)pyridine-2-carboxamide
CID 123784740
tert-butyl-[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]carbamic acid
CID 66668703

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide?
The IUPAC name of N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide (CID 87364188) is N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide is CON(C)C(=O)c1nn(-c2cnn(CCOCc3ccccc3)c2)ccc1=O.
What is the InChIKey of N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide?
The InChIKey is MZIOSPVLRIGGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-22(27-2)19(26)18-17(25)8-9-24(21-18)16-12-20-23(13-16)10-11-28-14-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide?
N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.28, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-oxo-1-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 87364188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).