[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate

C17H18ClN7O3 — CID 8807415

IUPAC[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
SMILESCc1nn(C)c(C)c1NC(=O)COC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN7O3/c1-10-16(11(2)24(3)21-10)19-14(26)9-28-15(27)8-25-22-17(20-23-25)12-4-6-13(18)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,26)
InChIKeyGIUPYLUUKBQARF-UHFFFAOYSA-N
MW403.83 g/mol
LogP1.53
Rot. Bonds6

About [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate (PubChem CID 8807415) has the molecular formula C17H18ClN7O3 and a molecular weight of 403.83 g/mol. Its IUPAC name is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
PubChem CID8807415
Molecular FormulaC17H18ClN7O3
Molecular Weight403.83 g/mol
Exact Mass403.12
IUPAC Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
SMILESCc1nn(C)c(C)c1NC(=O)COC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN7O3/c1-10-16(11(2)24(3)21-10)19-14(26)9-28-15(27)8-25-22-17(20-23-25)12-4-6-13(18)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,26)
InChIKeyGIUPYLUUKBQARF-UHFFFAOYSA-N
XLogP1.53
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate with MolForge

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Related Compounds

[2-(4-chlorophenyl)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825511
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825589
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825534
[2-(4-ethylphenyl)-2-oxoethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8807248
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825635
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7715367
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721692
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825640
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825634
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7698746

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate?
The IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate (CID 8807415) is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate?
The canonical SMILES for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate is Cc1nn(C)c(C)c1NC(=O)COC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate?
The InChIKey is GIUPYLUUKBQARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O3/c1-10-16(11(2)24(3)21-10)19-14(26)9-28-15(27)8-25-22-17(20-23-25)12-4-6-13(18)7-5-12/h4-7H,8-9H2,1-3H3,(H,19,26).
What are the key properties of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate?
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate has a molecular weight of 403.83 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 8807415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).