N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide

C16H20N4O3 — CID 56731188

IUPACN-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(=O)N2Cc2ccc(C)o2)cn1
InChIInChI=1S/C16H20N4O3/c1-3-19-9-12(8-17-19)18-16(22)14-6-7-15(21)20(14)10-13-5-4-11(2)23-13/h4-5,8-9,14H,3,6-7,10H2,1-2H3,(H,18,22)
InChIKeyICXPWGUKPAGYLC-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.93
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 56731188) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID56731188
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(=O)N2Cc2ccc(C)o2)cn1
InChIInChI=1S/C16H20N4O3/c1-3-19-9-12(8-17-19)18-16(22)14-6-7-15(21)20(14)10-13-5-4-11(2)23-13/h4-5,8-9,14H,3,6-7,10H2,1-2H3,(H,18,22)
InChIKeyICXPWGUKPAGYLC-UHFFFAOYSA-N
XLogP1.93
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 56731188) is N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is CCn1cc(NC(=O)C2CCC(=O)N2Cc2ccc(C)o2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ICXPWGUKPAGYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-19-9-12(8-17-19)18-16(22)14-6-7-15(21)20(14)10-13-5-4-11(2)23-13/h4-5,8-9,14H,3,6-7,10H2,1-2H3,(H,18,22).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 56731188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).