1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C14H24N4O4S — CID 134714471

IUPAC1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCC(C)n1ccc(C(=O)N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)n1
InChIInChI=1S/C14H24N4O4S/c1-10(2)18-6-5-12(15-18)14(20)17-7-11(13(19)8-17)9-23(21,22)16(3)4/h5-6,10-11,13,19H,7-9H2,1-4H3/t11-,13+/m0/s1
InChIKeyDSRWOFZKAZAMST-WCQYABFASA-N
MW344.44 g/mol
LogP-0.21
Rot. Bonds5

About 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 134714471) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID134714471
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCC(C)n1ccc(C(=O)N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)n1
InChIInChI=1S/C14H24N4O4S/c1-10(2)18-6-5-12(15-18)14(20)17-7-11(13(19)8-17)9-23(21,22)16(3)4/h5-6,10-11,13,19H,7-9H2,1-4H3/t11-,13+/m0/s1
InChIKeyDSRWOFZKAZAMST-WCQYABFASA-N
XLogP-0.21
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 134714471) is 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is CC(C)n1ccc(C(=O)N2C[C@@H](CS(=O)(=O)N(C)C)[C@H](O)C2)n1.
What is the InChIKey of 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is DSRWOFZKAZAMST-WCQYABFASA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-10(2)18-6-5-12(15-18)14(20)17-7-11(13(19)8-17)9-23(21,22)16(3)4/h5-6,10-11,13,19H,7-9H2,1-4H3/t11-,13+/m0/s1.
What are the key properties of 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 134714471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).