1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C15H25N3O2 — CID 70712324

IUPAC1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCOC[C@@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C15H25N3O2/c1-11-14(12(2)17(3)16-11)7-8-15(19)18-9-5-6-13(18)10-20-4/h13H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyORYLSRIPSLBYLN-ZDUSSCGKSA-N
MW279.38 g/mol
LogP1.61
Rot. Bonds5

About 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 70712324) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID70712324
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCOC[C@@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C15H25N3O2/c1-11-14(12(2)17(3)16-11)7-8-15(19)18-9-5-6-13(18)10-20-4/h13H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyORYLSRIPSLBYLN-ZDUSSCGKSA-N
XLogP1.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
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CID 56897650
N,N-dimethyl-1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-4-azepanamine
CID 56906568
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 53528011
2-Methyl-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71850686
1-(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71927852
1-{2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}-3,4,5-trimethyl-1H-pyrazole
CID 74243529
N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71972474
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 72002116
1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96449304

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 70712324) is 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is COC[C@@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is ORYLSRIPSLBYLN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11-14(12(2)17(3)16-11)7-8-15(19)18-9-5-6-13(18)10-20-4/h13H,5-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 279.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 70712324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).