[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate

C13H12ClN3O3 — CID 46860354

IUPAC[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C13H12ClN3O3/c1-8-5-11(17-16-8)15-12(18)7-20-13(19)9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H2,15,16,17,18)
InChIKeyPPRNJSONTALHDX-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.17
Rot. Bonds4

About [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate

[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate (PubChem CID 46860354) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate
PubChem CID46860354
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C13H12ClN3O3/c1-8-5-11(17-16-8)15-12(18)7-20-13(19)9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H2,15,16,17,18)
InChIKeyPPRNJSONTALHDX-UHFFFAOYSA-N
XLogP2.17
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 2479152
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 46860573
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-ethylbenzoate
CID 46860569
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 46924900
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 2-bromobenzoate
CID 71823666
[2-oxo-2-(propan-2-ylamino)ethyl] 3-chlorobenzoate
CID 2503816
[2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl] 3-chlorobenzoate
CID 9067673
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23887686
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-methylbenzoate
CID 2563169
[2-(3-chloroanilino)-2-oxoethyl] 1,3-benzoxazole-6-carboxylate
CID 23999281
[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 3-chlorobenzoate
CID 9014463

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate?
The IUPAC name of [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate (CID 46860354) is [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate.
What is the SMILES notation for [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate?
The canonical SMILES for [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate is Cc1cc(NC(=O)COC(=O)c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate?
The InChIKey is PPRNJSONTALHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-8-5-11(17-16-8)15-12(18)7-20-13(19)9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H2,15,16,17,18).
What are the key properties of [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate?
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate has a molecular weight of 293.71 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate is sourced from PubChem (CID 46860354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).