1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide

C24H22FN5O2 — CID 55721576

IUPAC1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H22FN5O2/c1-17-18(16-29(27-17)20-7-3-2-4-8-20)6-5-15-26-24(32)22-13-14-23(31)30(28-22)21-11-9-19(25)10-12-21/h2-4,7-14,16H,5-6,15H2,1H3,(H,26,32)
InChIKeyALEOPZUYYLSCOS-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.23
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide

1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide (PubChem CID 55721576) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide
PubChem CID55721576
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H22FN5O2/c1-17-18(16-29(27-17)20-7-3-2-4-8-20)6-5-15-26-24(32)22-13-14-23(31)30(28-22)21-11-9-19(25)10-12-21/h2-4,7-14,16H,5-6,15H2,1H3,(H,26,32)
InChIKeyALEOPZUYYLSCOS-UHFFFAOYSA-N
XLogP3.23
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 46426573
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55721874
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111361270
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31890180
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 86971711

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide (CID 55721576) is 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is ALEOPZUYYLSCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-17-18(16-29(27-17)20-7-3-2-4-8-20)6-5-15-26-24(32)22-13-14-23(31)30(28-22)21-11-9-19(25)10-12-21/h2-4,7-14,16H,5-6,15H2,1H3,(H,26,32).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55721576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).