[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C20H17ClN6O3 — CID 55481454

IUPAC[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C20H17ClN6O3/c21-15-6-2-1-5-14(15)11-27-18(9-10-22-27)23-19(28)13-30-20(29)12-26-17-8-4-3-7-16(17)24-25-26/h1-10H,11-13H2,(H,23,28)
InChIKeyGIKXVKTYNUUJCL-UHFFFAOYSA-N
MW424.85 g/mol
LogP2.51
Rot. Bonds7

About [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 55481454) has the molecular formula C20H17ClN6O3 and a molecular weight of 424.85 g/mol. Its IUPAC name is [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID55481454
Molecular FormulaC20H17ClN6O3
Molecular Weight424.85 g/mol
Exact Mass424.11
IUPAC Name[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1nnc2ccccc21)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C20H17ClN6O3/c21-15-6-2-1-5-14(15)11-27-18(9-10-22-27)23-19(28)13-30-20(29)12-26-17-8-4-3-7-16(17)24-25-26/h1-10H,11-13H2,(H,23,28)
InChIKeyGIKXVKTYNUUJCL-UHFFFAOYSA-N
XLogP2.51
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate with MolForge

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Related Compounds

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23964451
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 55468124
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55374030
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]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 36804243
[2-(2-cyanoanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23791724
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
CID 25037674
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554046
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(3-iodophenoxy)acetamide
CID 36562769

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 55481454) is [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is O=C(COC(=O)Cn1nnc2ccccc21)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is GIKXVKTYNUUJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O3/c21-15-6-2-1-5-14(15)11-27-18(9-10-22-27)23-19(28)13-30-20(29)12-26-17-8-4-3-7-16(17)24-25-26/h1-10H,11-13H2,(H,23,28).
What are the key properties of [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 424.85 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 55481454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).