(3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C16H20N4O3 — CID 97416303

IUPAC(3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCn1cc(N2C[C@H](C(=O)NCc3ccc(C)o3)CC2=O)cn1
InChIInChI=1S/C16H20N4O3/c1-3-19-10-13(7-18-19)20-9-12(6-15(20)21)16(22)17-8-14-5-4-11(2)23-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H,17,22)/t12-/m1/s1
InChIKeyXWUARLUNYHHWEL-GFCCVEGCSA-N
MW316.36 g/mol
LogP1.47
Rot. Bonds5

About (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97416303) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97416303
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCn1cc(N2C[C@H](C(=O)NCc3ccc(C)o3)CC2=O)cn1
InChIInChI=1S/C16H20N4O3/c1-3-19-10-13(7-18-19)20-9-12(6-15(20)21)16(22)17-8-14-5-4-11(2)23-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H,17,22)/t12-/m1/s1
InChIKeyXWUARLUNYHHWEL-GFCCVEGCSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(furan-2-ylmethyl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97465205
1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71830396
(3R)-1-(1-ethylpyrazol-4-yl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97416313
(3R)-N-[(4-methoxyphenyl)methyl]-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97416293
(3R)-N-benzyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97465084
N-methyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 71830418
(3R)-N-butyl-1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 97465114
5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246300
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
(3R)-1-(1,3-benzodioxol-5-yl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 31965632
1-[1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 91945638
N-(cyclopropylmethyl)-5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71830371

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97416303) is (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCn1cc(N2C[C@H](C(=O)NCc3ccc(C)o3)CC2=O)cn1.
What is the InChIKey of (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XWUARLUNYHHWEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-19-10-13(7-18-19)20-9-12(6-15(20)21)16(22)17-8-14-5-4-11(2)23-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H,17,22)/t12-/m1/s1.
What are the key properties of (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylpyrazol-4-yl)-N-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97416303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).