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

C15H27ClN4O3S — CID 154897477

IUPAC1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)n1.Cl
InChIInChI=1S/C15H26N4O3S.ClH/c1-4-5-12-10-19(8-9-23(3,21)22)11-14(12)16-15(20)13-6-7-18(2)17-13;/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,16,20);1H/t12-,14-;/m0./s1
InChIKeyFQLPTESTRGZXCQ-KYSPHBLOSA-N
MW378.93 g/mol
LogP0.72
Rot. Bonds7

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

1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 154897477) has the molecular formula C15H27ClN4O3S and a molecular weight of 378.93 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
PubChem CID154897477
Molecular FormulaC15H27ClN4O3S
Molecular Weight378.93 g/mol
Exact Mass378.15
IUPAC Name1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)n1.Cl
InChIInChI=1S/C15H26N4O3S.ClH/c1-4-5-12-10-19(8-9-23(3,21)22)11-14(12)16-15(20)13-6-7-18(2)17-13;/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,16,20);1H/t12-,14-;/m0./s1
InChIKeyFQLPTESTRGZXCQ-KYSPHBLOSA-N
XLogP0.72
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-4-carboxamide;hydrochloride
CID 154899016
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,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 133128276
N-[(3S,4R)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 133135547
6-tert-butyl-N-[(3R,4S)-1-(2-hydroxyethyl)-4-propylpyrrolidin-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide;hydrochloride
CID 154898225
N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 86283433
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
6-tert-butyl-N-[(3S,4R)-1-(2-hydroxyethyl)-4-propylpyrrolidin-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 133135300
1-(1-methylpyrazol-3-yl)-4-methylsulfonylbutan-1-one
CID 65195803
2-cyclopropyl-N-[(3S,4R)-1-[3-(methylamino)-3-oxopropyl]-4-propylpyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 133120579
2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 133131844

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride (CID 154897477) is 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride is CCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)n1.Cl.
What is the InChIKey of 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is FQLPTESTRGZXCQ-KYSPHBLOSA-N. The full InChI is InChI=1S/C15H26N4O3S.ClH/c1-4-5-12-10-19(8-9-23(3,21)22)11-14(12)16-15(20)13-6-7-18(2)17-13;/h6-7,12,14H,4-5,8-11H2,1-3H3,(H,16,20);1H/t12-,14-;/m0./s1.
What are the key properties of 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride?
1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 378.93 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 154897477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).