(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C16H28N4O2 — CID 124754599

IUPAC(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(C)c(C)c1CN(CCO)[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C16H28N4O2/c1-12-15(13(2)18(4)17-12)11-20(9-10-21)14(3)16(22)19-7-5-6-8-19/h14,21H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyOJRKADFEYHCGLM-AWEZNQCLSA-N
MW308.43 g/mol
LogP0.84
Rot. Bonds6

About (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one

(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 124754599) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID124754599
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nn(C)c(C)c1CN(CCO)[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C16H28N4O2/c1-12-15(13(2)18(4)17-12)11-20(9-10-21)14(3)16(22)19-7-5-6-8-19/h14,21H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyOJRKADFEYHCGLM-AWEZNQCLSA-N
XLogP0.84
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

1-Cyclohexyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]piperazin-2-one
CID 56703940
1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)pyrrolidin-1-yl]ethanone
CID 56901425
(3R)-1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,4,4-trimethyl-3-pyrrolidinol
CID 72905600
N-tert-butyl-2-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]acetamide
CID 47613485
3-[[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]azepan-2-one
CID 47614961
5-[(dimethylamino)methyl]-N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1,3,4-oxadiazole-2-carboxamide
CID 56875082
rel-(3R,4S)-4-cyclopropyl-1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N,N-dimethyl-3-pyrrolidinamine hydrochloride
CID 72861224
1-{2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}-3,4,5-trimethyl-1H-pyrazole
CID 74243529
2-pyrrolidin-1-yl-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 90651232
1-{3-[3-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-3,4,5-trimethyl-1H-pyrazole
CID 91792141
(2S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
CID 97899844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 124754599) is (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one is Cc1nn(C)c(C)c1CN(CCO)[C@@H](C)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OJRKADFEYHCGLM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12-15(13(2)18(4)17-12)11-20(9-10-21)14(3)16(22)19-7-5-6-8-19/h14,21H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
(2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 308.43 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-hydroxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 124754599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).