4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one

C19H23ClN4O2 — CID 1091496

IUPAC4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCC(C)(C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C19H23ClN4O2/c1-19(2,3)18(26)23-11-9-22(10-12-23)15-13-21-24(17(25)16(15)20)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyRQQDPAHXJUYILN-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 1091496) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID1091496
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCC(C)(C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C19H23ClN4O2/c1-19(2,3)18(26)23-11-9-22(10-12-23)15-13-21-24(17(25)16(15)20)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyRQQDPAHXJUYILN-UHFFFAOYSA-N
XLogP2.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 1091496) is 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is CC(C)(C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is RQQDPAHXJUYILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-19(2,3)18(26)23-11-9-22(10-12-23)15-13-21-24(17(25)16(15)20)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 374.87 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 1091496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).