1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide

C17H19FN4O2 — CID 97244438

IUPAC1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C17H19FN4O2/c1-3-22-10-12(9-19-22)17(24)20-14-8-15(23)21(2)16(14)11-4-6-13(18)7-5-11/h4-7,9-10,14,16H,3,8H2,1-2H3,(H,20,24)/t14-,16-/m1/s1
InChIKeyLLUPPUBLWRGCMC-GDBMZVCRSA-N
MW330.36 g/mol
LogP1.74
Rot. Bonds4

About 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide

1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 97244438) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID97244438
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C17H19FN4O2/c1-3-22-10-12(9-19-22)17(24)20-14-8-15(23)21(2)16(14)11-4-6-13(18)7-5-11/h4-7,9-10,14,16H,3,8H2,1-2H3,(H,20,24)/t14-,16-/m1/s1
InChIKeyLLUPPUBLWRGCMC-GDBMZVCRSA-N
XLogP1.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide (CID 97244438) is 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is LLUPPUBLWRGCMC-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-3-22-10-12(9-19-22)17(24)20-14-8-15(23)21(2)16(14)11-4-6-13(18)7-5-11/h4-7,9-10,14,16H,3,8H2,1-2H3,(H,20,24)/t14-,16-/m1/s1.
What are the key properties of 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide?
1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 97244438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).