2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide

C18H22ClN5O2 — CID 49192631

IUPAC2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C18H22ClN5O2/c1-21(2)17(25)13-22-7-9-23(10-8-22)18(26)14-11-20-24(12-14)16-6-4-3-5-15(16)19/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyATOPUQFYNPMKCV-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 49192631) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID49192631
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C18H22ClN5O2/c1-21(2)17(25)13-22-7-9-23(10-8-22)18(26)14-11-20-24(12-14)16-6-4-3-5-15(16)19/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyATOPUQFYNPMKCV-UHFFFAOYSA-N
XLogP1.37
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 49192631) is 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1.
What is the InChIKey of 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is ATOPUQFYNPMKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-21(2)17(25)13-22-7-9-23(10-8-22)18(26)14-11-20-24(12-14)16-6-4-3-5-15(16)19/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 375.86 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 49192631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).