4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide

C16H21N5O3S — CID 97127601

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCCn3cccn3)cc2)C1
InChIInChI=1S/C16H21N5O3S/c17-14-6-10-21(12-14)25(23,24)15-4-2-13(3-5-15)16(22)18-8-11-20-9-1-7-19-20/h1-5,7,9,14H,6,8,10-12,17H2,(H,18,22)/t14-/m1/s1
InChIKeyJIYIYNGJGUVFKI-CQSZACIVSA-N
MW363.44 g/mol
LogP0.03
Rot. Bonds6

About 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide

4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 97127601) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID97127601
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCCn3cccn3)cc2)C1
InChIInChI=1S/C16H21N5O3S/c17-14-6-10-21(12-14)25(23,24)15-4-2-13(3-5-15)16(22)18-8-11-20-9-1-7-19-20/h1-5,7,9,14H,6,8,10-12,17H2,(H,18,22)/t14-/m1/s1
InChIKeyJIYIYNGJGUVFKI-CQSZACIVSA-N
XLogP0.03
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 99952603
N-[2-(ethylamino)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119504648
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 70739425
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 97141358
[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]-thiomorpholin-4-ylmethanone
CID 70766156
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90538675
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111429668
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide (CID 97127601) is 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide is N[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)NCCn3cccn3)cc2)C1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is JIYIYNGJGUVFKI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O3S/c17-14-6-10-21(12-14)25(23,24)15-4-2-13(3-5-15)16(22)18-8-11-20-9-1-7-19-20/h1-5,7,9,14H,6,8,10-12,17H2,(H,18,22)/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide?
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 363.44 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 97127601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).