2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide

C21H24FN5O3 — CID 56539493

IUPAC2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C21H24FN5O3/c1-27(14-20(28)24-21(29)23-13-18-5-3-11-30-18)10-2-4-17-12-19(26-25-17)15-6-8-16(22)9-7-15/h3,5-9,11-12H,2,4,10,13-14H2,1H3,(H,25,26)(H2,23,24,28,29)
InChIKeyKQSQUQRMPKFCDG-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.70
Rot. Bonds9

About 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 56539493) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID56539493
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C21H24FN5O3/c1-27(14-20(28)24-21(29)23-13-18-5-3-11-30-18)10-2-4-17-12-19(26-25-17)15-6-8-16(22)9-7-15/h3,5-9,11-12H,2,4,10,13-14H2,1H3,(H,25,26)(H2,23,24,28,29)
InChIKeyKQSQUQRMPKFCDG-UHFFFAOYSA-N
XLogP2.70
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 56539806
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
N-[(4-chlorophenyl)methyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539714
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 56570962
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56571223
2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide
CID 56570898
N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539419
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539454
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 56539493) is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is KQSQUQRMPKFCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c1-27(14-20(28)24-21(29)23-13-18-5-3-11-30-18)10-2-4-17-12-19(26-25-17)15-6-8-16(22)9-7-15/h3,5-9,11-12H,2,4,10,13-14H2,1H3,(H,25,26)(H2,23,24,28,29).
What are the key properties of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 413.45 g/mol, XLogP of 2.70, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 56539493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).