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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Related Compounds

4-{[(1r,2s)-2-Fluoro-2-Methylcyclopentyl]amino}pyrrolo[1,2-B]pyridazine-3-Carboxamide
CID 68291752
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
2-(pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 25190898
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
US10022354, Example 5
CID 121279569
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427

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).