N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

C24H28FN3O2 — CID 55954623

IUPACN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC1CC1c1ccc(CCC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)o1
InChIInChI=1S/C24H28FN3O2/c1-16-13-21(16)23-10-8-20(30-23)9-11-24(29)28(2)12-4-7-19-15-22(27-26-19)17-5-3-6-18(25)14-17/h3,5-6,8,10,14-16,21H,4,7,9,11-13H2,1-2H3,(H,26,27)
InChIKeyAEMAJIGVCGDMOC-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.96
Rot. Bonds9

About N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 55954623) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID55954623
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC1CC1c1ccc(CCC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)o1
InChIInChI=1S/C24H28FN3O2/c1-16-13-21(16)23-10-8-20(30-23)9-11-24(29)28(2)12-4-7-19-15-22(27-26-19)17-5-3-6-18(25)14-17/h3,5-6,8,10,14-16,21H,4,7,9,11-13H2,1-2H3,(H,26,27)
InChIKeyAEMAJIGVCGDMOC-UHFFFAOYSA-N
XLogP4.96
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.96
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-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 55954623) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is CC1CC1c1ccc(CCC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)o1.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is AEMAJIGVCGDMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-16-13-21(16)23-10-8-20(30-23)9-11-24(29)28(2)12-4-7-19-15-22(27-26-19)17-5-3-6-18(25)14-17/h3,5-6,8,10,14-16,21H,4,7,9,11-13H2,1-2H3,(H,26,27).
What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 409.51 g/mol, XLogP of 4.96, 9 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-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 55954623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).