N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide

C23H24ClN5O2 — CID 56503793

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)n1cccn1
InChIInChI=1S/C23H24ClN5O2/c24-19-8-4-9-20(16-19)27-12-14-28(15-13-27)21(30)17-25-23(31)22(29-11-5-10-26-29)18-6-2-1-3-7-18/h1-11,16,22H,12-15,17H2,(H,25,31)
InChIKeyJVXWBFCMFUEDND-UHFFFAOYSA-N
MW437.93 g/mol
LogP2.59
Rot. Bonds6

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide (PubChem CID 56503793) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide
PubChem CID56503793
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)n1cccn1
InChIInChI=1S/C23H24ClN5O2/c24-19-8-4-9-20(16-19)27-12-14-28(15-13-27)21(30)17-25-23(31)22(29-11-5-10-26-29)18-6-2-1-3-7-18/h1-11,16,22H,12-15,17H2,(H,25,31)
InChIKeyJVXWBFCMFUEDND-UHFFFAOYSA-N
XLogP2.59
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide
CID 113097807
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 95280062
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 2197758
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 56547977
3-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119874784

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide (CID 56503793) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide is O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)n1cccn1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The InChIKey is JVXWBFCMFUEDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-19-8-4-9-20(16-19)27-12-14-28(15-13-27)21(30)17-25-23(31)22(29-11-5-10-26-29)18-6-2-1-3-7-18/h1-11,16,22H,12-15,17H2,(H,25,31).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide has a molecular weight of 437.93 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 56503793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).