[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate

C18H23N3O4 — CID 3647293

IUPAC[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-18(2,3)14-10-15(19-16(22)11-25-17(23)12-24-4)21(20-14)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,19,22)
InChIKeyFDIMUXQOLFHCMT-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.30
Rot. Bonds6

About [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate

[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate (PubChem CID 3647293) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate
PubChem CID3647293
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-18(2,3)14-10-15(19-16(22)11-25-17(23)12-24-4)21(20-14)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,19,22)
InChIKeyFDIMUXQOLFHCMT-UHFFFAOYSA-N
XLogP2.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2999014
(3-Tert-butyl-1-phenylpyrazol-5-yl)urea
CID 11010668
[2-[(5-Tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] butanoate
CID 2090421
Ethyl 2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]acetate
CID 2103187
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 2404954
N-(4-((6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3
CID 41783978
2-(5-Anilino-3-methylpyrazol-1-yl)ethyl acetate
CID 2366402
2-[2-[4-(3,5-Ditert-butylpyrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 2741760
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 2818867
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7825595
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide
CID 134795811
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide
CID 134796419

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate (CID 3647293) is [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1.
What is the InChIKey of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is FDIMUXQOLFHCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(2,3)14-10-15(19-16(22)11-25-17(23)12-24-4)21(20-14)13-8-6-5-7-9-13/h5-10H,11-12H2,1-4H3,(H,19,22).
What are the key properties of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate?
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 345.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 3647293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).