4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide

C16H21N5O3S — CID 97141358

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C16H21N5O3S/c1-20(11-14-6-8-18-19-14)16(22)12-2-4-15(5-3-12)25(23,24)21-9-7-13(17)10-21/h2-6,8,13H,7,9-11,17H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyFFWPUGYICUASPN-CYBMUJFWSA-N
MW363.44 g/mol
LogP0.40
Rot. Bonds5

About 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide

4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 97141358) 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-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID97141358
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1
InChIInChI=1S/C16H21N5O3S/c1-20(11-14-6-8-18-19-14)16(22)12-2-4-15(5-3-12)25(23,24)21-9-7-13(17)10-21/h2-6,8,13H,7,9-11,17H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyFFWPUGYICUASPN-CYBMUJFWSA-N
XLogP0.40
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-piperazin-1-ylsulfonyl-N-(1H-pyrazol-5-ylmethyl)benzamide;hydrochloride
CID 154897636
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 97127601
(3S)-1-(4-ethylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993597
[4-(3-aminopyrrolidin-1-yl)sulfonylphenyl]-thiomorpholin-4-ylmethanone
CID 70766156
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide;hydrochloride
CID 120999160
4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylbenzenecarbothioamide
CID 63515136
1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
4-(3-aminopyrrolidin-1-yl)sulfonylbenzamide;imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 155093969

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 97141358) is 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide is CN(Cc1ccn[nH]1)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is FFWPUGYICUASPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-20(11-14-6-8-18-19-14)16(22)12-2-4-15(5-3-12)25(23,24)21-9-7-13(17)10-21/h2-6,8,13H,7,9-11,17H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 363.44 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 97141358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).