2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide

C19H19FN4OS — CID 99741748

IUPAC2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1
InChIInChI=1S/C19H19FN4OS/c20-14-5-3-13(4-6-14)10-19(25)21-15-7-8-24(12-15)18-11-16(22-23-18)17-2-1-9-26-17/h1-6,9,11,15H,7-8,10,12H2,(H,21,25)(H,22,23)/t15-/m0/s1
InChIKeyUCNNPXGNMFYXIQ-HNNXBMFYSA-N
MW370.45 g/mol
LogP3.21
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide

2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 99741748) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID99741748
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1
InChIInChI=1S/C19H19FN4OS/c20-14-5-3-13(4-6-14)10-19(25)21-15-7-8-24(12-15)18-11-16(22-23-18)17-2-1-9-26-17/h1-6,9,11,15H,7-8,10,12H2,(H,21,25)(H,22,23)/t15-/m0/s1
InChIKeyUCNNPXGNMFYXIQ-HNNXBMFYSA-N
XLogP3.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
5-bromo-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]furan-2-carboxamide
CID 91888124
4-chloro-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741662
2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741612
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 99741546
2-ethoxy-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99742178
3-methyl-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741702
5-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 91914597
3,4-diethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91904916
4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 91818062
3,4,5-trimethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91888122

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide (CID 99741748) is 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide is O=C(Cc1ccc(F)cc1)N[C@H]1CCN(c2cc(-c3cccs3)[nH]n2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is UCNNPXGNMFYXIQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-14-5-3-13(4-6-14)10-19(25)21-15-7-8-24(12-15)18-11-16(22-23-18)17-2-1-9-26-17/h1-6,9,11,15H,7-8,10,12H2,(H,21,25)(H,22,23)/t15-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide?
2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99741748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).