1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one

C18H17ClN6O — CID 133338513

IUPAC1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESCc1ccn(-c2ccc(NC3CCN(c4cccc(Cl)c4)C3=O)nn2)n1
InChIInChI=1S/C18H17ClN6O/c1-12-7-10-25(23-12)17-6-5-16(21-22-17)20-15-8-9-24(18(15)26)14-4-2-3-13(19)11-14/h2-7,10-11,15H,8-9H2,1H3,(H,20,21)
InChIKeyMQMMLGWOGVQWEY-UHFFFAOYSA-N
MW368.83 g/mol
LogP2.84
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one

1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one (PubChem CID 133338513) has the molecular formula C18H17ClN6O and a molecular weight of 368.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
PubChem CID133338513
Molecular FormulaC18H17ClN6O
Molecular Weight368.83 g/mol
Exact Mass368.12
IUPAC Name1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
SMILESCc1ccn(-c2ccc(NC3CCN(c4cccc(Cl)c4)C3=O)nn2)n1
InChIInChI=1S/C18H17ClN6O/c1-12-7-10-25(23-12)17-6-5-16(21-22-17)20-15-8-9-24(18(15)26)14-4-2-3-13(19)11-14/h2-7,10-11,15H,8-9H2,1H3,(H,20,21)
InChIKeyMQMMLGWOGVQWEY-UHFFFAOYSA-N
XLogP2.84
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133325552
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
(3S)-1-(3-chlorophenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pyrrolidin-2-one
CID 97221908
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802137
1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133438994
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
methyl 6-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazine-3-carboxylate
CID 133296390
(3R)-1-(3-chlorophenyl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 96529412
1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133338501
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 133338488

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one (CID 133338513) is 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one is Cc1ccn(-c2ccc(NC3CCN(c4cccc(Cl)c4)C3=O)nn2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one?
The InChIKey is MQMMLGWOGVQWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O/c1-12-7-10-25(23-12)17-6-5-16(21-22-17)20-15-8-9-24(18(15)26)14-4-2-3-13(19)11-14/h2-7,10-11,15H,8-9H2,1H3,(H,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one?
1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one has a molecular weight of 368.83 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133338513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).