3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide

C24H21FN6O2 — CID 45498040

IUPAC3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C24H21FN6O2/c25-18-6-4-16(5-7-18)21-15-22(29-28-21)24(32)26-19-3-1-2-17(14-19)20-8-9-23(30-27-20)31-10-12-33-13-11-31/h1-9,14-15H,10-13H2,(H,26,32)(H,28,29)
InChIKeyVKWFKVOYZFGXKF-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.76
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 45498040) has the molecular formula C24H21FN6O2 and a molecular weight of 444.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID45498040
Molecular FormulaC24H21FN6O2
Molecular Weight444.47 g/mol
Exact Mass444.17
IUPAC Name3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C24H21FN6O2/c25-18-6-4-16(5-7-18)21-15-22(29-28-21)24(32)26-19-3-1-2-17(14-19)20-8-9-23(30-27-20)31-10-12-33-13-11-31/h1-9,14-15H,10-13H2,(H,26,32)(H,28,29)
InChIKeyVKWFKVOYZFGXKF-UHFFFAOYSA-N
XLogP3.76
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 45498040) is 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VKWFKVOYZFGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O2/c25-18-6-4-16(5-7-18)21-15-22(29-28-21)24(32)26-19-3-1-2-17(14-19)20-8-9-23(30-27-20)31-10-12-33-13-11-31/h1-9,14-15H,10-13H2,(H,26,32)(H,28,29).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45498040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).