1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride

C16H29ClN4O3S — CID 154899016

IUPAC1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1cnn(CC)c1.Cl
InChIInChI=1S/C16H28N4O3S.ClH/c1-4-6-13-10-19(7-8-24(3,22)23)12-15(13)18-16(21)14-9-17-20(5-2)11-14;/h9,11,13,15H,4-8,10,12H2,1-3H3,(H,18,21);1H/t13-,15-;/m0./s1
InChIKeySHOIFLYTBGHBPP-SLHAJLBXSA-N
MW392.95 g/mol
LogP1.20
Rot. Bonds8

About 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride

1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 154899016) has the molecular formula C16H29ClN4O3S and a molecular weight of 392.95 g/mol. Its IUPAC name is 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
PubChem CID154899016
Molecular FormulaC16H29ClN4O3S
Molecular Weight392.95 g/mol
Exact Mass392.16
IUPAC Name1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1cnn(CC)c1.Cl
InChIInChI=1S/C16H28N4O3S.ClH/c1-4-6-13-10-19(7-8-24(3,22)23)12-15(13)18-16(21)14-9-17-20(5-2)11-14;/h9,11,13,15H,4-8,10,12H2,1-3H3,(H,18,21);1H/t13-,15-;/m0./s1
InChIKeySHOIFLYTBGHBPP-SLHAJLBXSA-N
XLogP1.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
CID 154897477
N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 133114350
2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 133117836
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
CID 135096220
N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 86283433
2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 133120579
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 72901743
N-[(3R,4S)-4-cyclopropyl-1-(2-methylsulfonylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 72940330
1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
CID 156584290
1-ethyl-N-[(2R,3R)-2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 97244438
4-[(1-propylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524563
N-[(3R,4S)-1-[(1-prop-2-enylpyrazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutanecarboxamide;hydrochloride
CID 154897653

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride (CID 154899016) is 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride is CCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1cnn(CC)c1.Cl.
What is the InChIKey of 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is SHOIFLYTBGHBPP-SLHAJLBXSA-N. The full InChI is InChI=1S/C16H28N4O3S.ClH/c1-4-6-13-10-19(7-8-24(3,22)23)12-15(13)18-16(21)14-9-17-20(5-2)11-14;/h9,11,13,15H,4-8,10,12H2,1-3H3,(H,18,21);1H/t13-,15-;/m0./s1.
What are the key properties of 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride?
1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 154899016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).