[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C16H24N4O3 — CID 77082969

IUPAC[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCn1cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c(C)n1
InChIInChI=1S/C16H24N4O3/c1-3-19-11-13(12(2)17-19)15(21)20-6-4-5-14(20)16(22)18-7-9-23-10-8-18/h11,14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyMITWJCFNBZJWFY-AWEZNQCLSA-N
MW320.39 g/mol
LogP0.67
Rot. Bonds3

About [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 77082969) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID77082969
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCCn1cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c(C)n1
InChIInChI=1S/C16H24N4O3/c1-3-19-11-13(12(2)17-19)15(21)20-6-4-5-14(20)16(22)18-7-9-23-10-8-18/h11,14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyMITWJCFNBZJWFY-AWEZNQCLSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Morpholin-4-ylethyl)-5-(3,3,5,5-tetramethylcyclohexyl)pyrazolo[3,4-d]pyridazin-4-one
CID 53353880
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-(2-methoxyethyl)-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 50979144
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
CID 72929946
[1-[(1,5-Dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110249131
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 42352823
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-4-(1-pyrrolidinylsulfonyl)piperazine
CID 72855393
N~4~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91923203

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 77082969) is [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is CCn1cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)c(C)n1.
What is the InChIKey of [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MITWJCFNBZJWFY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-19-11-13(12(2)17-19)15(21)20-6-4-5-14(20)16(22)18-7-9-23-10-8-18/h11,14H,3-10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 320.39 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1-ethyl-3-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 77082969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).