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

C16H20N4O3 — CID 95739435

IUPAC(2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2CCC(=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)/t14-/m1/s1
InChIKeyICXPWGUKPAGYLC-CQSZACIVSA-N
MW316.36 g/mol
LogP1.93
Rot. Bonds5

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

(2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95739435) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95739435
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2CCC(=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)/t14-/m1/s1
InChIKeyICXPWGUKPAGYLC-CQSZACIVSA-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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Related Compounds

(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 95739502
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739433
(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 95739154
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 95739472
1-[(5-methylfuran-2-yl)methyl]-5-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 71688598
(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 95739163
(5R)-5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 95739483
(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 100802952
(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 95738994
5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687667
2-[4-[(5-methylfuran-2-yl)methylcarbamoylamino]pyrazol-1-yl]acetic acid
CID 62522870

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 95739435) is (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is CCn1cc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)o2)cn1.
What is the InChIKey of (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ICXPWGUKPAGYLC-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-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 (2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95739435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).