N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

C24H22FN5O2 — CID 55854510

IUPACN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)c2)n1
InChIInChI=1S/C24H22FN5O2/c1-16-12-17(2)29(27-16)15-19-5-3-4-18(13-19)14-26-24(32)22-10-11-23(31)30(28-22)21-8-6-20(25)7-9-21/h3-13H,14-15H2,1-2H3,(H,26,32)
InChIKeyARFACZCNLJYVRH-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.16
Rot. Bonds6

About N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 55854510) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID55854510
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC NameN-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)c2)n1
InChIInChI=1S/C24H22FN5O2/c1-16-12-17(2)29(27-16)15-19-5-3-4-18(13-19)14-26-24(32)22-10-11-23(31)30(28-22)21-8-6-20(25)7-9-21/h3-13H,14-15H2,1-2H3,(H,26,32)
InChIKeyARFACZCNLJYVRH-UHFFFAOYSA-N
XLogP3.16
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55855558
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891594
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-(2-fluorophenoxy)butanamide
CID 55961180
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-nitrobenzamide
CID 47059253
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110372894

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 55854510) is N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is Cc1cc(C)n(Cc2cccc(CNC(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)c2)n1.
What is the InChIKey of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is ARFACZCNLJYVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-16-12-17(2)29(27-16)15-19-5-3-4-18(13-19)14-26-24(32)22-10-11-23(31)30(28-22)21-8-6-20(25)7-9-21/h3-13H,14-15H2,1-2H3,(H,26,32).
What are the key properties of N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55854510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).