6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide

C22H21N5O2 — CID 30525594

IUPAC6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C22H21N5O2/c28-21-12-11-20(25-27(21)19-5-2-1-3-6-19)22(29)23-15-13-17-7-9-18(10-8-17)26-16-4-14-24-26/h1-10,14,16H,11-13,15H2,(H,23,29)
InChIKeyPEFLZUVWLHKXDU-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.71
Rot. Bonds6

About 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide

6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 30525594) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID30525594
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(-n2cccn2)cc1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C22H21N5O2/c28-21-12-11-20(25-27(21)19-5-2-1-3-6-19)22(29)23-15-13-17-7-9-18(10-8-17)26-16-4-14-24-26/h1-10,14,16H,11-13,15H2,(H,23,29)
InChIKeyPEFLZUVWLHKXDU-UHFFFAOYSA-N
XLogP2.71
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18083745
1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3992311
5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 41413162
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
3-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 43045643
1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4283336
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
N-[2-(4-pyrazol-1-ylphenyl)ethyl]quinoline-2-carboxamide
CID 41412655
trans-(1S,2S)-2-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153839
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide (CID 30525594) is 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide is O=C(NCCc1ccc(-n2cccn2)cc1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PEFLZUVWLHKXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-21-12-11-20(25-27(21)19-5-2-1-3-6-19)22(29)23-15-13-17-7-9-18(10-8-17)26-16-4-14-24-26/h1-10,14,16H,11-13,15H2,(H,23,29).
What are the key properties of 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide?
6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 30525594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).