N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide

C20H22FN3OS — CID 55955003

IUPACN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1cccs1
InChIInChI=1S/C20H22FN3OS/c1-24(20(25)10-9-18-8-4-12-26-18)11-3-7-17-14-19(23-22-17)15-5-2-6-16(21)13-15/h2,4-6,8,12-14H,3,7,9-11H2,1H3,(H,22,23)
InChIKeyDWKKIELKGKHWNO-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-2-ylpropanamide

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide (PubChem CID 55955003) 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-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide
PubChem CID55955003
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-2-ylpropanamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1cccs1
InChIInChI=1S/C20H22FN3OS/c1-24(20(25)10-9-18-8-4-12-26-18)11-3-7-17-14-19(23-22-17)15-5-2-6-16(21)13-15/h2,4-6,8,12-14H,3,7,9-11H2,1H3,(H,22,23)
InChIKeyDWKKIELKGKHWNO-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-2-ylpropanamide?
The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide (CID 55955003) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)CCc1cccs1.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is DWKKIELKGKHWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-24(20(25)10-9-18-8-4-12-26-18)11-3-7-17-14-19(23-22-17)15-5-2-6-16(21)13-15/h2,4-6,8,12-14H,3,7,9-11H2,1H3,(H,22,23).
What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-ylpropanamide?
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-thiophen-2-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-2-ylpropanamide is sourced from PubChem (CID 55955003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).