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

C19H23N3O3 — CID 2999014

IUPAC[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)15-11-16(22(21-15)14-7-5-4-6-8-14)20-17(23)12-25-18(24)13-9-10-13/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,23)
InChIKeyBPGVGIMSOOLMPT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.06
Rot. Bonds5

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

[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2999014) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2999014
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)15-11-16(22(21-15)14-7-5-4-6-8-14)20-17(23)12-25-18(24)13-9-10-13/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,23)
InChIKeyBPGVGIMSOOLMPT-UHFFFAOYSA-N
XLogP3.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-methoxyacetate
CID 3647293
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2818866
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
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate
CID 16287536
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide
CID 134795811
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)butanamide
CID 134796419
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methoxyacetamide
CID 134798567
methyl N-(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamate
CID 134799294

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate (CID 2999014) is [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate is CC(C)(C)c1cc(NC(=O)COC(=O)C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is BPGVGIMSOOLMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)15-11-16(22(21-15)14-7-5-4-6-8-14)20-17(23)12-25-18(24)13-9-10-13/h4-8,11,13H,9-10,12H2,1-3H3,(H,20,23).
What are the key properties of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2999014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).