N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

C17H24N4O3 — CID 86853291

IUPACN-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCc1cc(C(C)NC(=O)CN(C)C(=O)C(C)n2cccn2)c(C)o1
InChIInChI=1S/C17H24N4O3/c1-11-9-15(14(4)24-11)12(2)19-16(22)10-20(5)17(23)13(3)21-8-6-7-18-21/h6-9,12-13H,10H2,1-5H3,(H,19,22)
InChIKeyYEWHUCKIYPUNTF-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.99
Rot. Bonds6

About N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (PubChem CID 86853291) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
PubChem CID86853291
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide
SMILESCc1cc(C(C)NC(=O)CN(C)C(=O)C(C)n2cccn2)c(C)o1
InChIInChI=1S/C17H24N4O3/c1-11-9-15(14(4)24-11)12(2)19-16(22)10-20(5)17(23)13(3)21-8-6-7-18-21/h6-9,12-13H,10H2,1-5H3,(H,19,22)
InChIKeyYEWHUCKIYPUNTF-UHFFFAOYSA-N
XLogP1.99
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide (CID 86853291) is N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is Cc1cc(C(C)NC(=O)CN(C)C(=O)C(C)n2cccn2)c(C)o1.
What is the InChIKey of N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
The InChIKey is YEWHUCKIYPUNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-9-15(14(4)24-11)12(2)19-16(22)10-20(5)17(23)13(3)21-8-6-7-18-21/h6-9,12-13H,10H2,1-5H3,(H,19,22).
What are the key properties of N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide?
N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide has a molecular weight of 332.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 86853291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).