[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C19H27N3O4 — CID 55646764

IUPAC[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C19H27N3O4/c1-14(2)10-21(11-15(3)4)18(23)13-25-19(24)17-7-6-16(26-17)12-22-9-5-8-20-22/h5-9,14-15H,10-13H2,1-4H3
InChIKeyMMECMUJPGXRIFC-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.82
Rot. Bonds9

About [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 55646764) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
PubChem CID55646764
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C19H27N3O4/c1-14(2)10-21(11-15(3)4)18(23)13-25-19(24)17-7-6-16(26-17)12-22-9-5-8-20-22/h5-9,14-15H,10-13H2,1-4H3
InChIKeyMMECMUJPGXRIFC-UHFFFAOYSA-N
XLogP2.82
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646699
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646701
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646580
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646605
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646855
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 4-pyrazol-1-ylbenzoate
CID 55367090
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 35760199
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646462
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646456
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646805
[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646455

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The IUPAC name of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 55646764) is [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The canonical SMILES for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The InChIKey is MMECMUJPGXRIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-14(2)10-21(11-15(3)4)18(23)13-25-19(24)17-7-6-16(26-17)12-22-9-5-8-20-22/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55646764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).