N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

C22H24N4O2S — CID 110229522

IUPACN-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C22H24N4O2S/c1-2-23-21(28)22(9-11-26(15-22)20(27)18-8-10-24-25-18)14-16-5-3-6-17(13-16)19-7-4-12-29-19/h3-8,10,12-13H,2,9,11,14-15H2,1H3,(H,23,28)(H,24,25)
InChIKeyNSPIFLVGXUKHLK-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110229522) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110229522
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C22H24N4O2S/c1-2-23-21(28)22(9-11-26(15-22)20(27)18-8-10-24-25-18)14-16-5-3-6-17(13-16)19-7-4-12-29-19/h3-8,10,12-13H,2,9,11,14-15H2,1H3,(H,23,28)(H,24,25)
InChIKeyNSPIFLVGXUKHLK-UHFFFAOYSA-N
XLogP3.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-ethyl-1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 136735194
N-ethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229523
N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229653
1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231239
(3S)-N-ethyl-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592375
1-benzoyl-N-ethyl-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 155982857
(3R)-N-ethyl-1-(2-fluorobenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592440
N-ethyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229647
(3S)-N-ethyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592379
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92592029
N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 110229697

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110229522) is N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is NSPIFLVGXUKHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-2-23-21(28)22(9-11-26(15-22)20(27)18-8-10-24-25-18)14-16-5-3-6-17(13-16)19-7-4-12-29-19/h3-8,10,12-13H,2,9,11,14-15H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).