2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate

C20H21N3O4 — CID 60554768

IUPAC2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1cc(C)n(CCOC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)n1
InChIInChI=1S/C20H21N3O4/c1-13-6-7-16(12-17(13)21-19(24)18-5-4-9-26-18)20(25)27-10-8-23-15(3)11-14(2)22-23/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,24)
InChIKeyOWJKKZCHYFCKAU-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.51
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate

2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 60554768) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID60554768
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1cc(C)n(CCOC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)n1
InChIInChI=1S/C20H21N3O4/c1-13-6-7-16(12-17(13)21-19(24)18-5-4-9-26-18)20(25)27-10-8-23-15(3)11-14(2)22-23/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,24)
InChIKeyOWJKKZCHYFCKAU-UHFFFAOYSA-N
XLogP3.51
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
3-pyridin-4-ylpropyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 78772300
2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4803837
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 60554768) is 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1cc(C)n(CCOC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is OWJKKZCHYFCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-6-7-16(12-17(13)21-19(24)18-5-4-9-26-18)20(25)27-10-8-23-15(3)11-14(2)22-23/h4-7,9,11-12H,8,10H2,1-3H3,(H,21,24).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 367.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 60554768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).