2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide

C15H26N4O3S — CID 72860019

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C15H26N4O3S/c1-5-6-12-8-19(23(4,21)22)9-14(12)16-15(20)7-13-10(2)17-18-11(13)3/h12,14H,5-9H2,1-4H3,(H,16,20)(H,17,18)/t12-,14-/m0/s1
InChIKeyCUZVEXNWTFKXID-JSGCOSHPSA-N
MW342.47 g/mol
LogP0.75
Rot. Bonds6

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72860019) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72860019
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C15H26N4O3S/c1-5-6-12-8-19(23(4,21)22)9-14(12)16-15(20)7-13-10(2)17-18-11(13)3/h12,14H,5-9H2,1-4H3,(H,16,20)(H,17,18)/t12-,14-/m0/s1
InChIKeyCUZVEXNWTFKXID-JSGCOSHPSA-N
XLogP0.75
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
3-(3,5-Dimethyl-1H-pyrazol-4-YL)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]propan-1-one
CID 91910347
N~1~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-YL]-3-(3,5-dimethyl-1H-pyrazol-4-YL)propanamide
CID 91923216
N-{2-[(dimethylamino)sulfonyl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 72873501
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-N~3~-(methylsulfonyl)-beta-alaninamide
CID 90648547
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]acetamide
CID 164641681
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 126801340
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 126820330
N-[(4,4-difluoropyrrolidin-2-yl)methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 155956876
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-1-sulfonyl fluoride
CID 166410614
(2S,4R)-4-Amino-1-[(3,5-dimethyl-1H-pyrazol-4-YL)methyl]-N-isopropylpyrrolidine-2-carboxamide
CID 56709160
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]acetamide
CID 56757538

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide (CID 72860019) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide is CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is CUZVEXNWTFKXID-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-5-6-12-8-19(23(4,21)22)9-14(12)16-15(20)7-13-10(2)17-18-11(13)3/h12,14H,5-9H2,1-4H3,(H,16,20)(H,17,18)/t12-,14-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 342.47 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72860019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).