N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide

C21H25ClN6O4S — CID 55469065

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClN6O4S/c1-15-21(16(2)32-25-15)33(30,31)27-11-9-26(10-12-27)14-20(29)24-19-7-8-23-28(19)13-17-5-3-4-6-18(17)22/h3-8H,9-14H2,1-2H3,(H,24,29)
InChIKeyLXPWGEVKDBTJRF-UHFFFAOYSA-N
MW492.99 g/mol
LogP2.13
Rot. Bonds7

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide (PubChem CID 55469065) has the molecular formula C21H25ClN6O4S and a molecular weight of 492.99 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
PubChem CID55469065
Molecular FormulaC21H25ClN6O4S
Molecular Weight492.99 g/mol
Exact Mass492.13
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H25ClN6O4S/c1-15-21(16(2)32-25-15)33(30,31)27-11-9-26(10-12-27)14-20(29)24-19-7-8-23-28(19)13-17-5-3-4-6-18(17)22/h3-8H,9-14H2,1-2H3,(H,24,29)
InChIKeyLXPWGEVKDBTJRF-UHFFFAOYSA-N
XLogP2.13
TPSA113.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.99
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 134041915
1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904793
N-tert-butyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]acetamide
CID 24632398
N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
CID 26431718
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60502079
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
CID 52759135
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
CID 55600209
methyl 2-(2-chlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetate
CID 24602989
N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 39894799
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 55741779
3,5-dimethyl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]sulfonyl-1,2-oxazole
CID 16621991

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide (CID 55469065) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide is Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide?
The InChIKey is LXPWGEVKDBTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O4S/c1-15-21(16(2)32-25-15)33(30,31)27-11-9-26(10-12-27)14-20(29)24-19-7-8-23-28(19)13-17-5-3-4-6-18(17)22/h3-8H,9-14H2,1-2H3,(H,24,29).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide has a molecular weight of 492.99 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55469065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).