1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone

C16H17ClN4O2 — CID 49191968

IUPAC1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C16H17ClN4O2/c1-12(22)19-6-8-20(9-7-19)16(23)13-10-18-21(11-13)15-5-3-2-4-14(15)17/h2-5,10-11H,6-9H2,1H3
InChIKeyUQYMWHAKVWIWIM-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.83
Rot. Bonds2

About 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 49191968) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID49191968
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C16H17ClN4O2/c1-12(22)19-6-8-20(9-7-19)16(23)13-10-18-21(11-13)15-5-3-2-4-14(15)17/h2-5,10-11H,6-9H2,1H3
InChIKeyUQYMWHAKVWIWIM-UHFFFAOYSA-N
XLogP1.83
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone (CID 49191968) is 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1.
What is the InChIKey of 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is UQYMWHAKVWIWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-12(22)19-6-8-20(9-7-19)16(23)13-10-18-21(11-13)15-5-3-2-4-14(15)17/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 332.79 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 49191968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).