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

C16H30N4O2S — CID 70740247

IUPACN-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)Cc1cc(CN2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)[nH]n1
InChIInChI=1S/C16H30N4O2S/c1-11(2)6-13-7-14(18-17-13)8-20-9-15(12(3)4)16(10-20)19-23(5,21)22/h7,11-12,15-16,19H,6,8-10H2,1-5H3,(H,17,18)/t15-,16+/m0/s1
InChIKeyASQKBDYIXXPARI-JKSUJKDBSA-N
MW342.51 g/mol
LogP1.61
Rot. Bonds7

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

N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 70740247) has the molecular formula C16H30N4O2S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID70740247
Molecular FormulaC16H30N4O2S
Molecular Weight342.51 g/mol
Exact Mass342.21
IUPAC NameN-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)Cc1cc(CN2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)[nH]n1
InChIInChI=1S/C16H30N4O2S/c1-11(2)6-13-7-14(18-17-13)8-20-9-15(12(3)4)16(10-20)19-23(5,21)22/h7,11-12,15-16,19H,6,8-10H2,1-5H3,(H,17,18)/t15-,16+/m0/s1
InChIKeyASQKBDYIXXPARI-JKSUJKDBSA-N
XLogP1.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 70740247) is N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is CC(C)Cc1cc(CN2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)[nH]n1.
What is the InChIKey of N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is ASQKBDYIXXPARI-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H30N4O2S/c1-11(2)6-13-7-14(18-17-13)8-20-9-15(12(3)4)16(10-20)19-23(5,21)22/h7,11-12,15-16,19H,6,8-10H2,1-5H3,(H,17,18)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 342.51 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 70740247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).