N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide

C20H21ClN4O — CID 52759135

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H21ClN4O/c1-2-24(17-9-4-3-5-10-17)15-20(26)23-19-12-13-22-25(19)14-16-8-6-7-11-18(16)21/h3-13H,2,14-15H2,1H3,(H,23,26)
InChIKeyFYDBIVUWQBLVJE-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.05
Rot. Bonds7

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide (PubChem CID 52759135) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
PubChem CID52759135
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
SMILESCCN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C20H21ClN4O/c1-2-24(17-9-4-3-5-10-17)15-20(26)23-19-12-13-22-25(19)14-16-8-6-7-11-18(16)21/h3-13H,2,14-15H2,1H3,(H,23,26)
InChIKeyFYDBIVUWQBLVJE-UHFFFAOYSA-N
XLogP4.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 55741779
2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 134041915
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 55988606
N-[3-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630834
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904793
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 55496936
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037469
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-methylphenyl)sulfanylacetamide
CID 52772463
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 16575024

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide (CID 52759135) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide is CCN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide?
The InChIKey is FYDBIVUWQBLVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-2-24(17-9-4-3-5-10-17)15-20(26)23-19-12-13-22-25(19)14-16-8-6-7-11-18(16)21/h3-13H,2,14-15H2,1H3,(H,23,26).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide has a molecular weight of 368.87 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide is sourced from PubChem (CID 52759135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).