2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide

C20H22N4OS — CID 91888172

IUPAC2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCc1cccc(CC(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)c1
InChIInChI=1S/C20H22N4OS/c1-14-4-2-5-15(10-14)11-20(25)21-16-7-8-24(13-16)19-12-17(22-23-19)18-6-3-9-26-18/h2-6,9-10,12,16H,7-8,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyLTHRGSGONVVSJO-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.38
Rot. Bonds5

About 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide

2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 91888172) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID91888172
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESCc1cccc(CC(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)c1
InChIInChI=1S/C20H22N4OS/c1-14-4-2-5-15(10-14)11-20(25)21-16-7-8-24(13-16)19-12-17(22-23-19)18-6-3-9-26-18/h2-6,9-10,12,16H,7-8,11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyLTHRGSGONVVSJO-UHFFFAOYSA-N
XLogP3.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide (CID 91888172) is 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide is Cc1cccc(CC(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is LTHRGSGONVVSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-4-2-5-15(10-14)11-20(25)21-16-7-8-24(13-16)19-12-17(22-23-19)18-6-3-9-26-18/h2-6,9-10,12,16H,7-8,11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91888172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).