(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone

C16H24N4O3 — CID 92632361

IUPAC(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H24N4O3/c1-3-19-8-5-13(17-19)14(21)20-7-4-6-16(20,2)15(22)18-9-11-23-12-10-18/h5,8H,3-4,6-7,9-12H2,1-2H3/t16-/m0/s1
InChIKeyHSZIAIDMQUFGPY-INIZCTEOSA-N
MW320.39 g/mol
LogP0.76
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone (PubChem CID 92632361) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
PubChem CID92632361
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H24N4O3/c1-3-19-8-5-13(17-19)14(21)20-7-4-6-16(20,2)15(22)18-9-11-23-12-10-18/h5,8H,3-4,6-7,9-12H2,1-2H3/t16-/m0/s1
InChIKeyHSZIAIDMQUFGPY-INIZCTEOSA-N
XLogP0.76
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(8-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 92632340
(2,4-dimethylpyrimidin-5-yl)-[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 110249155
(2S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(1-ethylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
CID 124944516
(1-ethylpyrazol-3-yl)-[2-[(2-fluorophenyl)methyl]-2-methylpyrrolidin-1-yl]methanone
CID 136549425
1-ethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 4771617
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
1-(1-ethylpyrazole-3-carbonyl)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110085882
3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623576
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(1-ethylpyrazole-3-carbonyl)-3-methylpiperidine-3-carboxamide
CID 124956168
(2,2-dimethylpyrrolidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 141314396
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone (CID 92632361) is (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CCC[C@@]2(C)C(=O)N2CCOCC2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone?
The InChIKey is HSZIAIDMQUFGPY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-19-8-5-13(17-19)14(21)20-7-4-6-16(20,2)15(22)18-9-11-23-12-10-18/h5,8H,3-4,6-7,9-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92632361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).