(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C23H21N7O — CID 121058315

IUPAC(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C23H21N7O/c31-23(21-16-20(26-27-21)17-4-2-1-3-5-17)30-14-12-29(13-15-30)22-7-6-19(25-28-22)18-8-10-24-11-9-18/h1-11,16H,12-15H2,(H,26,27)
InChIKeyCSEXOGXEIUBZBT-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.89
Rot. Bonds4

About (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 121058315) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID121058315
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C23H21N7O/c31-23(21-16-20(26-27-21)17-4-2-1-3-5-17)30-14-12-29(13-15-30)22-7-6-19(25-28-22)18-8-10-24-11-9-18/h1-11,16H,12-15H2,(H,26,27)
InChIKeyCSEXOGXEIUBZBT-UHFFFAOYSA-N
XLogP2.89
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-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-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240
[4-(4-chlorophenyl)piperazin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 22576732
1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058281
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 121059960
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
5-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121058350
furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087781
[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 71802804

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 121058315) is (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1.
What is the InChIKey of (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is CSEXOGXEIUBZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c31-23(21-16-20(26-27-21)17-4-2-1-3-5-17)30-14-12-29(13-15-30)22-7-6-19(25-28-22)18-8-10-24-11-9-18/h1-11,16H,12-15H2,(H,26,27).
What are the key properties of (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 411.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121058315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).