1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C19H32N4O2 — CID 71927852

IUPAC1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCCC1CN(C(=O)CCc2c(C)nn(C)c2C)CC1N1CCOCC1
InChIInChI=1S/C19H32N4O2/c1-5-16-12-23(13-18(16)22-8-10-25-11-9-22)19(24)7-6-17-14(2)20-21(4)15(17)3/h16,18H,5-13H2,1-4H3
InChIKeyBMHVEZVFYMKUHW-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.54
Rot. Bonds5

About 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 71927852) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID71927852
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCCC1CN(C(=O)CCc2c(C)nn(C)c2C)CC1N1CCOCC1
InChIInChI=1S/C19H32N4O2/c1-5-16-12-23(13-18(16)22-8-10-25-11-9-22)19(24)7-6-17-14(2)20-21(4)15(17)3/h16,18H,5-13H2,1-4H3
InChIKeyBMHVEZVFYMKUHW-UHFFFAOYSA-N
XLogP1.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{3-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1,3,5-trimethyl-1H-pyrazole
CID 70712324
1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
(1R*,5R*)-6-(2-methoxyethyl)-3-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133115034
1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
(1S*,3R*)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 56897650
N-cyclopentyl-2-{4-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-morpholinyl}acetamide
CID 56898587
1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91921428
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91922001
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
N-Methyl-4-{1-[3-(1,3,5-trimethyl-1H-pyrazol-4-YL)propanoyl]pyrrolidin-3-YL}piperidine-1-carboxamide
CID 124074576
1-(4-Acetylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 34840010
1-(4-Acetyl-1,4-diazepan-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 53508808

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 71927852) is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is CCC1CN(C(=O)CCc2c(C)nn(C)c2C)CC1N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is BMHVEZVFYMKUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-16-12-23(13-18(16)22-8-10-25-11-9-22)19(24)7-6-17-14(2)20-21(4)15(17)3/h16,18H,5-13H2,1-4H3.
What are the key properties of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 348.49 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 71927852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).