6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one

C17H14ClN5O2 — CID 139027620

IUPAC6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
SMILESO=C(c1ccn[nH]1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1
InChIInChI=1S/C17H14ClN5O2/c18-12-3-1-11(2-4-12)14-5-6-16(24)23(21-14)13-9-22(10-13)17(25)15-7-8-19-20-15/h1-8,13H,9-10H2,(H,19,20)
InChIKeyUGSJNUUGBCNARA-UHFFFAOYSA-N
MW355.79 g/mol
LogP1.98
Rot. Bonds3

About 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one

6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one (PubChem CID 139027620) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
PubChem CID139027620
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
SMILESO=C(c1ccn[nH]1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1
InChIInChI=1S/C17H14ClN5O2/c18-12-3-1-11(2-4-12)14-5-6-16(24)23(21-14)13-9-22(10-13)17(25)15-7-8-19-20-15/h1-8,13H,9-10H2,(H,19,20)
InChIKeyUGSJNUUGBCNARA-UHFFFAOYSA-N
XLogP1.98
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139028939
2-[(3S)-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797616
2-[1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 110214063
1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900110
2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027657
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone
CID 131643393
6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139023744
(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 97032410
2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91895161
2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one
CID 92586204
2-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027819
6-(4-chloro-2-methoxyphenyl)-2-[1-(2-cyclopropylbenzoyl)azetidin-3-yl]pyridazin-3-one
CID 177184228

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one (CID 139027620) is 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one is O=C(c1ccn[nH]1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one?
The InChIKey is UGSJNUUGBCNARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c18-12-3-1-11(2-4-12)14-5-6-16(24)23(21-14)13-9-22(10-13)17(25)15-7-8-19-20-15/h1-8,13H,9-10H2,(H,19,20).
What are the key properties of 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one has a molecular weight of 355.79 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 139027620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).