2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one

C19H23N3O — CID 90384055

IUPAC2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CC1(c2ccc(-n3ncccc3=O)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-15-4-3-13-21(15)14-19(10-11-19)16-6-8-17(9-7-16)22-18(23)5-2-12-20-22/h2,5-9,12,15H,3-4,10-11,13-14H2,1H3/t15-/m1/s1
InChIKeyHWGRYIQUDNNFGB-OAHLLOKOSA-N
MW309.41 g/mol
LogP2.75
Rot. Bonds4

About 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one

2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one (PubChem CID 90384055) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one
PubChem CID90384055
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CC1(c2ccc(-n3ncccc3=O)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-15-4-3-13-21(15)14-19(10-11-19)16-6-8-17(9-7-16)22-18(23)5-2-12-20-22/h2,5-9,12,15H,3-4,10-11,13-14H2,1H3/t15-/m1/s1
InChIKeyHWGRYIQUDNNFGB-OAHLLOKOSA-N
XLogP2.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one
CID 16666784
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one;sulfuric acid
CID 11539261
(Z)-but-2-enedioic acid;2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one
CID 11583223
2-(4-tert-butylphenyl)pyridazin-3-one
CID 132581865
2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one
CID 67010937
1-[(2-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 60973694
2-[1-[(2-methylpyrrolidin-1-yl)methyl]cyclopropyl]ethanol
CID 114757403
2-(3-fluoro-4-methylphenyl)pyridazin-3-one
CID 123492304
3-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)pyridine
CID 171690143
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923188
2-methyl-3-[(4-methylphenoxy)methyl]-1-[[1-(4-methylphenyl)cyclobutyl]methyl]piperidine
CID 70310740

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one?
The IUPAC name of 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one (CID 90384055) is 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one is C[C@@H]1CCCN1CC1(c2ccc(-n3ncccc3=O)cc2)CC1.
What is the InChIKey of 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one?
The InChIKey is HWGRYIQUDNNFGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-4-3-13-21(15)14-19(10-11-19)16-6-8-17(9-7-16)22-18(23)5-2-12-20-22/h2,5-9,12,15H,3-4,10-11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one?
2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one has a molecular weight of 309.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 90384055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).