(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C19H18Cl2N6O — CID 121034120

IUPAC(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)c4cc(Cl)ccc4Cl)CC3)nn2)n1
InChIInChI=1S/C19H18Cl2N6O/c1-13-6-7-27(24-13)18-5-4-17(22-23-18)25-8-10-26(11-9-25)19(28)15-12-14(20)2-3-16(15)21/h2-7,12H,8-11H2,1H3
InChIKeyWDGCFVDMFHTTDM-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.24
Rot. Bonds3

About (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 121034120) has the molecular formula C19H18Cl2N6O and a molecular weight of 417.30 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID121034120
Molecular FormulaC19H18Cl2N6O
Molecular Weight417.30 g/mol
Exact Mass416.09
IUPAC Name(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCc1ccn(-c2ccc(N3CCN(C(=O)c4cc(Cl)ccc4Cl)CC3)nn2)n1
InChIInChI=1S/C19H18Cl2N6O/c1-13-6-7-27(24-13)18-5-4-17(22-23-18)25-8-10-26(11-9-25)19(28)15-12-14(20)2-3-16(15)21/h2-7,12H,8-11H2,1H3
InChIKeyWDGCFVDMFHTTDM-UHFFFAOYSA-N
XLogP3.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345832
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122345938
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-nitrophenyl)methanone
CID 121034121
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
2-(2-chlorophenyl)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345835
(2,4-dichlorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034163
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122345851
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122346072
(4-chlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923029
3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]benzonitrile
CID 122345898
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345889
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 122345827

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 121034120) is (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccn(-c2ccc(N3CCN(C(=O)c4cc(Cl)ccc4Cl)CC3)nn2)n1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is WDGCFVDMFHTTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O/c1-13-6-7-27(24-13)18-5-4-17(22-23-18)25-8-10-26(11-9-25)19(28)15-12-14(20)2-3-16(15)21/h2-7,12H,8-11H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 417.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121034120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).