5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one

C18H23N3O — CID 126440590

IUPAC5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESCC[C@@H](C)c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1
InChIInChI=1S/C18H23N3O/c1-3-13(2)14-6-8-15(9-7-14)17-16(12-19-20-18(17)22)21-10-4-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyXVRGANXXOOMJIN-CYBMUJFWSA-N
MW297.40 g/mol
LogP3.55
Rot. Bonds4

About 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one

5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one (PubChem CID 126440590) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one
PubChem CID126440590
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESCC[C@@H](C)c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1
InChIInChI=1S/C18H23N3O/c1-3-13(2)14-6-8-15(9-7-14)17-16(12-19-20-18(17)22)21-10-4-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyXVRGANXXOOMJIN-CYBMUJFWSA-N
XLogP3.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-1-phenylcyclopentanecarboxamide
CID 70784592
N-[1-(6-Oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-phenylbutanamide
CID 91911740
Aminophenylpyridazinon
CID 19875818
4-(4-isopropylphenyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 121494423
4-(4-tert-butylphenyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 121499417
4-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 121505439
4-(4-methylphenyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 132412888
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 69045817
4-[[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 69048272
4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one
CID 177208010
5-chloro-4-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1H-pyridazin-6-one
CID 71860325
5-Hydrazinyl-2-methyl-4-phenylpyridazin-3-one
CID 86101491

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one (CID 126440590) is 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one is CC[C@@H](C)c1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1.
What is the InChIKey of 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The InChIKey is XVRGANXXOOMJIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-13(2)14-6-8-15(9-7-14)17-16(12-19-20-18(17)22)21-10-4-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one has a molecular weight of 297.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2R)-butan-2-yl]phenyl]-4-pyrrolidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 126440590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).