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

C21H24FN5O2S — CID 56539806

IUPAC2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC(=O)NCc1cccs1
InChIInChI=1S/C21H24FN5O2S/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)
InChIKeyLYPODFUHSCSQIY-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.17
Rot. Bonds9

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

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 56539806) has the molecular formula C21H24FN5O2S and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID56539806
Molecular FormulaC21H24FN5O2S
Molecular Weight429.52 g/mol
Exact Mass429.16
IUPAC Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC(=O)NCc1cccs1
InChIInChI=1S/C21H24FN5O2S/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)
InChIKeyLYPODFUHSCSQIY-UHFFFAOYSA-N
XLogP3.17
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 56539493
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
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
CID 56539587
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 26387450
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
N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539454
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55838696

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 56539806) is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)NC(=O)NCc1cccs1.
What is the InChIKey of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is LYPODFUHSCSQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2S/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-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 429.52 g/mol, XLogP of 3.17, 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-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 56539806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).