N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C15H26N4O3S — CID 133129853

IUPACN-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1n[nH]c(C)c1CC(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1
InChIInChI=1S/C15H26N4O3S/c1-9(2)13-7-19(8-14(13)18-23(5,21)22)15(20)6-12-10(3)16-17-11(12)4/h9,13-14,18H,6-8H2,1-5H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyWNDZOLCTXVIFSD-UONOGXRCSA-N
MW342.47 g/mol
LogP0.60
Rot. Bonds5

About N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 133129853) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID133129853
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC NameN-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1n[nH]c(C)c1CC(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1
InChIInChI=1S/C15H26N4O3S/c1-9(2)13-7-19(8-14(13)18-23(5,21)22)15(20)6-12-10(3)16-17-11(12)4/h9,13-14,18H,6-8H2,1-5H3,(H,16,17)/t13-,14+/m0/s1
InChIKeyWNDZOLCTXVIFSD-UONOGXRCSA-N
XLogP0.60
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 133129853) is N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C1.
What is the InChIKey of N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WNDZOLCTXVIFSD-UONOGXRCSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-9(2)13-7-19(8-14(13)18-23(5,21)22)15(20)6-12-10(3)16-17-11(12)4/h9,13-14,18H,6-8H2,1-5H3,(H,16,17)/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 342.47 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 133129853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).