[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate

C16H19N3O3 — CID 46860573

IUPAC[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c1-10(2)12-4-6-13(7-5-12)16(21)22-9-15(20)17-14-8-11(3)18-19-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyLGECDMUOYHTAMI-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.64
Rot. Bonds5

About [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate

[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate (PubChem CID 46860573) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
PubChem CID46860573
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)n[nH]1
InChIInChI=1S/C16H19N3O3/c1-10(2)12-4-6-13(7-5-12)16(21)22-9-15(20)17-14-8-11(3)18-19-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyLGECDMUOYHTAMI-UHFFFAOYSA-N
XLogP2.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-ethylbenzoate
CID 46860569
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 46860354
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 46924900
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2356788
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 46860570
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969091
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7694345
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 2-bromobenzoate
CID 71823666
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969377
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7694346
(2-amino-2-oxoethyl) 4-propan-2-ylbenzoate
CID 2505465
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate?
The IUPAC name of [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate (CID 46860573) is [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate.
What is the SMILES notation for [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate?
The canonical SMILES for [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate is Cc1cc(NC(=O)COC(=O)c2ccc(C(C)C)cc2)n[nH]1.
What is the InChIKey of [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate?
The InChIKey is LGECDMUOYHTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(2)12-4-6-13(7-5-12)16(21)22-9-15(20)17-14-8-11(3)18-19-14/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of [2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate?
[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate has a molecular weight of 301.35 g/mol, XLogP of 2.64, 5 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] 4-propan-2-ylbenzoate is sourced from PubChem (CID 46860573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).