N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide

C16H23N5O2S — CID 166195461

IUPACN-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCN(Cc2cn[nH]c2-c2cccnc2)C1
InChIInChI=1S/C16H23N5O2S/c1-12(2)20-24(22,23)15-5-7-21(11-15)10-14-9-18-19-16(14)13-4-3-6-17-8-13/h3-4,6,8-9,12,15,20H,5,7,10-11H2,1-2H3,(H,18,19)
InChIKeyWXURWTDIWWBPII-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.37
Rot. Bonds6

About N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide

N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide (PubChem CID 166195461) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide
PubChem CID166195461
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCN(Cc2cn[nH]c2-c2cccnc2)C1
InChIInChI=1S/C16H23N5O2S/c1-12(2)20-24(22,23)15-5-7-21(11-15)10-14-9-18-19-16(14)13-4-3-6-17-8-13/h3-4,6,8-9,12,15,20H,5,7,10-11H2,1-2H3,(H,18,19)
InChIKeyWXURWTDIWWBPII-UHFFFAOYSA-N
XLogP1.37
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide?
The IUPAC name of N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide (CID 166195461) is N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide is CC(C)NS(=O)(=O)C1CCN(Cc2cn[nH]c2-c2cccnc2)C1.
What is the InChIKey of N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide?
The InChIKey is WXURWTDIWWBPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-12(2)20-24(22,23)15-5-7-21(11-15)10-14-9-18-19-16(14)13-4-3-6-17-8-13/h3-4,6,8-9,12,15,20H,5,7,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide?
N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 166195461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).