3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one

C19H20N4O2 — CID 19958425

IUPAC3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one
SMILESCC(c1ccc(=O)[nH]n1)c1ccc(C(=O)c2ccc(N(C)C)cc2)[nH]1
InChIInChI=1S/C19H20N4O2/c1-12(16-10-11-18(24)22-21-16)15-8-9-17(20-15)19(25)13-4-6-14(7-5-13)23(2)3/h4-12,20H,1-3H3,(H,22,24)
InChIKeyXMENLIBIIRPIQB-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.55
Rot. Bonds5

About 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one

3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one (PubChem CID 19958425) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one
PubChem CID19958425
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one
SMILESCC(c1ccc(=O)[nH]n1)c1ccc(C(=O)c2ccc(N(C)C)cc2)[nH]1
InChIInChI=1S/C19H20N4O2/c1-12(16-10-11-18(24)22-21-16)15-8-9-17(20-15)19(25)13-4-6-14(7-5-13)23(2)3/h4-12,20H,1-3H3,(H,22,24)
InChIKeyXMENLIBIIRPIQB-UHFFFAOYSA-N
XLogP2.55
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one (CID 19958425) is 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one is CC(c1ccc(=O)[nH]n1)c1ccc(C(=O)c2ccc(N(C)C)cc2)[nH]1.
What is the InChIKey of 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one?
The InChIKey is XMENLIBIIRPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12(16-10-11-18(24)22-21-16)15-8-9-17(20-15)19(25)13-4-6-14(7-5-13)23(2)3/h4-12,20H,1-3H3,(H,22,24).
What are the key properties of 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one?
3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one has a molecular weight of 336.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-[4-(dimethylamino)benzoyl]-1H-pyrrol-2-yl]ethyl]-1H-pyridazin-6-one is sourced from PubChem (CID 19958425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).