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

C15H26N4O3S — CID 72898440

IUPAC1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)n1
InChIInChI=1S/C15H26N4O3S/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)/t12-,14-/m0/s1
InChIKeyUIRYRFACYZVACP-JSGCOSHPSA-N
MW342.47 g/mol
LogP0.29
Rot. Bonds7

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

1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 72898440) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID72898440
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)n1
InChIInChI=1S/C15H26N4O3S/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)/t12-,14-/m0/s1
InChIKeyUIRYRFACYZVACP-JSGCOSHPSA-N
XLogP0.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-{rel-(3R,4S)-4-cyclopropyl-1-[2-(methylsulfonyl)ethyl]-3-pyrrolidinyl}-1,5-dimethyl-1H-pyrazole-4-carboxamide hydrochloride
CID 72901743
N-{rel-(3R,4S)-1-[2-(methylsulfonyl)ethyl]-4-propyl-3-pyrrolidinyl}-1H-pyrazole-3-carboxamide hydrochloride
CID 72925354
8-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-4-methyl-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
CID 91923788
N-cyclopropyl-2-{1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}acetamide
CID 91917776
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1-methyl-1H-pyrazole-5-carboxamide
CID 91923119
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1-ethyl-1H-pyrazole-3-carboxamide
CID 91923121
4-Methyl-8-[(1-methyl-1H-pyrazol-5-YL)carbonyl]-1lambda~6~-thia-4,8-diazaspiro[4.5]decane-1,1,3-trione
CID 91923787
(1S,11R)-2-(2-methylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199287
(1S,11R)-2-(2-ethylpyrazole-3-carbonyl)-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199288
(4aR*,7aS*)-1-(3-methylbutanoyl)-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70773717
N-[rel-(3R,4S)-1-cyclopentyl-4-isopropyl-3-pyrrolidinyl]-1-methyl-1H-pyrazole-5-carboxamide hydrochloride
CID 72883311

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide (CID 72898440) is 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide is CCC[C@H]1CN(CCS(C)(=O)=O)C[C@@H]1NC(=O)c1ccn(C)n1.
What is the InChIKey of 1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is UIRYRFACYZVACP-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H26N4O3S/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)/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?
1-methyl-N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 0.29, 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 is sourced from PubChem (CID 72898440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).