2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

C18H29N5O3 — CID 95722901

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)c1C
InChIInChI=1S/C18H29N5O3/c1-4-15-13(2)20-23(14(15)3)12-17(24)22-6-5-19-11-16(22)18(25)21-7-9-26-10-8-21/h16,19H,4-12H2,1-3H3/t16-/m0/s1
InChIKeyRXQBEJPHQMZYRC-INIZCTEOSA-N
MW363.46 g/mol
LogP-0.28
Rot. Bonds4

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 95722901) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID95722901
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)c1C
InChIInChI=1S/C18H29N5O3/c1-4-15-13(2)20-23(14(15)3)12-17(24)22-6-5-19-11-16(22)18(25)21-7-9-26-10-8-21/h16,19H,4-12H2,1-3H3/t16-/m0/s1
InChIKeyRXQBEJPHQMZYRC-INIZCTEOSA-N
XLogP-0.28
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide
CID 16190571
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191037
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47020141
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(oxan-4-yl)acetamide
CID 53556912
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53605725
1-Cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one
CID 56703940
1-(2-amino-2-oxoethyl)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 70759029
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 72043658
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72880511
N-[2-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]acetamide
CID 97410117
N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110226048
N-(1-methoxypropan-2-yl)-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502111

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone (CID 95722901) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone is CCc1c(C)nn(CC(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RXQBEJPHQMZYRC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-4-15-13(2)20-23(14(15)3)12-17(24)22-6-5-19-11-16(22)18(25)21-7-9-26-10-8-21/h16,19H,4-12H2,1-3H3/t16-/m0/s1.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 363.46 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(morpholine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 95722901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).