[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

C19H19N3O4 — CID 2999512

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C19H19N3O4/c1-13-18(14(2)22(21-13)15-7-4-3-5-8-15)19(24)26-12-17(23)20-11-16-9-6-10-25-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyBFLRASOVKMVXKY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.56
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (PubChem CID 2999512) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
PubChem CID2999512
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NCc1ccco1
InChIInChI=1S/C19H19N3O4/c1-13-18(14(2)22(21-13)15-7-4-3-5-8-15)19(24)26-12-17(23)20-11-16-9-6-10-25-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyBFLRASOVKMVXKY-UHFFFAOYSA-N
XLogP2.56
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 2363200
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2425711
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 2474679
2-((Furan-2-ylmethyl)amino)-2-oxoethyl 5-chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2571609
[2-(3-Methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 2667677
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2-furylmethyl)propanamide
CID 16022634

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate (CID 2999512) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is BFLRASOVKMVXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13-18(14(2)22(21-13)15-7-4-3-5-8-15)19(24)26-12-17(23)20-11-16-9-6-10-25-16/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2999512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).