(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone

C21H18Cl2N4O2 — CID 55869721

IUPAC(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C21H18Cl2N4O2/c22-17-8-4-7-15(18(17)23)20(28)26-9-11-27(12-10-26)21(29)16-13-24-25-19(16)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,24,25)
InChIKeyDKBDQTHJFPMAHA-UHFFFAOYSA-N
MW429.31 g/mol
LogP3.98
Rot. Bonds3

About (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 55869721) has the molecular formula C21H18Cl2N4O2 and a molecular weight of 429.31 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID55869721
Molecular FormulaC21H18Cl2N4O2
Molecular Weight429.31 g/mol
Exact Mass428.08
IUPAC Name(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C21H18Cl2N4O2/c22-17-8-4-7-15(18(17)23)20(28)26-9-11-27(12-10-26)21(29)16-13-24-25-19(16)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,24,25)
InChIKeyDKBDQTHJFPMAHA-UHFFFAOYSA-N
XLogP3.98
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
(4-benzhydrylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 71824945
(4-benzhydrylpiperazin-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 71824930
(2-chlorophenyl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 15869682
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749
1-[4-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 17408119
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 72903607
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 55800119
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone (CID 55869721) is (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone is O=C(c1cn[nH]c1-c1ccccc1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DKBDQTHJFPMAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2/c22-17-8-4-7-15(18(17)23)20(28)26-9-11-27(12-10-26)21(29)16-13-24-25-19(16)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,24,25).
What are the key properties of (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 429.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55869721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).