N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide

C18H23N5O2 — CID 164639066

IUPACN-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESCCC1(CC)CNC(=O)[C@H]1NC(=O)c1cc(-c2ccncc2)nn1C
InChIInChI=1S/C18H23N5O2/c1-4-18(5-2)11-20-17(25)15(18)21-16(24)14-10-13(22-23(14)3)12-6-8-19-9-7-12/h6-10,15H,4-5,11H2,1-3H3,(H,20,25)(H,21,24)/t15-/m1/s1
InChIKeyNWLUCHZBIHVDPU-OAHLLOKOSA-N
MW341.42 g/mol
LogP1.52
Rot. Bonds5

About N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide

N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 164639066) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID164639066
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESCCC1(CC)CNC(=O)[C@H]1NC(=O)c1cc(-c2ccncc2)nn1C
InChIInChI=1S/C18H23N5O2/c1-4-18(5-2)11-20-17(25)15(18)21-16(24)14-10-13(22-23(14)3)12-6-8-19-9-7-12/h6-10,15H,4-5,11H2,1-3H3,(H,20,25)(H,21,24)/t15-/m1/s1
InChIKeyNWLUCHZBIHVDPU-OAHLLOKOSA-N
XLogP1.52
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide (CID 164639066) is N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide is CCC1(CC)CNC(=O)[C@H]1NC(=O)c1cc(-c2ccncc2)nn1C.
What is the InChIKey of N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is NWLUCHZBIHVDPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-4-18(5-2)11-20-17(25)15(18)21-16(24)14-10-13(22-23(14)3)12-6-8-19-9-7-12/h6-10,15H,4-5,11H2,1-3H3,(H,20,25)(H,21,24)/t15-/m1/s1.
What are the key properties of N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide?
N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 164639066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).