1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C16H28N4O4S — CID 155495570

IUPAC1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1C[C@@H](CS(=O)(=O)N(C)C)[C@@H](O)C1
InChIInChI=1S/C16H28N4O4S/c1-11-14(12(2)19(5)17-11)6-7-16(22)20-8-13(15(21)9-20)10-25(23,24)18(3)4/h13,15,21H,6-10H2,1-5H3/t13-,15-/m0/s1
InChIKeyMSNFABDQUPWYSW-ZFWWWQNUSA-N
MW372.49 g/mol
LogP-0.32
Rot. Bonds6

About 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 155495570) has the molecular formula C16H28N4O4S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID155495570
Molecular FormulaC16H28N4O4S
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC Name1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCc1nn(C)c(C)c1CCC(=O)N1C[C@@H](CS(=O)(=O)N(C)C)[C@@H](O)C1
InChIInChI=1S/C16H28N4O4S/c1-11-14(12(2)19(5)17-11)6-7-16(22)20-8-13(15(21)9-20)10-25(23,24)18(3)4/h13,15,21H,6-10H2,1-5H3/t13-,15-/m0/s1
InChIKeyMSNFABDQUPWYSW-ZFWWWQNUSA-N
XLogP-0.32
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R,4R)-1-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155494122
1-[(3R,4R)-4-hydroxy-1-[3-(2-methylpyrazol-3-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698478
N-[(3R,4S)-4-propyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 164641373
1-(4-hydroxypiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 43416095
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032850
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172670915
1-[(3R,4R)-4-hydroxy-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 157017882
1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 96500760
1-[(3R,4S)-1-[3-(1,3-benzodioxol-5-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697804
1-[(3R,4R)-1-[3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134704737
1-thiomorpholin-4-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71688984
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 24669751

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 155495570) is 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](CS(=O)(=O)N(C)C)[C@@H](O)C1.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is MSNFABDQUPWYSW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H28N4O4S/c1-11-14(12(2)19(5)17-11)6-7-16(22)20-8-13(15(21)9-20)10-25(23,24)18(3)4/h13,15,21H,6-10H2,1-5H3/t13-,15-/m0/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 372.49 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 155495570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).