N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide

C20H22FN3OS — CID 55953467

IUPACN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ccsc1
InChIInChI=1S/C20H22FN3OS/c1-24(20(25)8-7-15-9-11-26-14-15)10-3-6-18-13-19(23-22-18)16-4-2-5-17(21)12-16/h2,4-5,9,11-14H,3,6-8,10H2,1H3,(H,22,23)
InChIKeyILLKDLLRMMRCDN-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.30
Rot. Bonds8

About N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide (PubChem CID 55953467) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide
PubChem CID55953467
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ccsc1
InChIInChI=1S/C20H22FN3OS/c1-24(20(25)8-7-15-9-11-26-14-15)10-3-6-18-13-19(23-22-18)16-4-2-5-17(21)12-16/h2,4-5,9,11-14H,3,6-8,10H2,1H3,(H,22,23)
InChIKeyILLKDLLRMMRCDN-UHFFFAOYSA-N
XLogP4.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide (CID 55953467) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1ccsc1.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is ILLKDLLRMMRCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-24(20(25)8-7-15-9-11-26-14-15)10-3-6-18-13-19(23-22-18)16-4-2-5-17(21)12-16/h2,4-5,9,11-14H,3,6-8,10H2,1H3,(H,22,23).
What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide?
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide has a molecular weight of 371.48 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 55953467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).