2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide

C21H30FN5O2 — CID 56570898

IUPAC2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H30FN5O2/c1-4-11-23-20(28)14-27(3)21(29)15-26(2)12-5-6-18-13-19(25-24-18)16-7-9-17(22)10-8-16/h7-10,13H,4-6,11-12,14-15H2,1-3H3,(H,23,28)(H,24,25)
InChIKeySVCASYTVRDQABY-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.06
Rot. Bonds11

About 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide

2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide (PubChem CID 56570898) has the molecular formula C21H30FN5O2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide
PubChem CID56570898
Molecular FormulaC21H30FN5O2
Molecular Weight403.50 g/mol
Exact Mass403.24
IUPAC Name2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H30FN5O2/c1-4-11-23-20(28)14-27(3)21(29)15-26(2)12-5-6-18-13-19(25-24-18)16-7-9-17(22)10-8-16/h7-10,13H,4-6,11-12,14-15H2,1-3H3,(H,23,28)(H,24,25)
InChIKeySVCASYTVRDQABY-UHFFFAOYSA-N
XLogP2.06
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide (CID 56570898) is 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide?
The InChIKey is SVCASYTVRDQABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN5O2/c1-4-11-23-20(28)14-27(3)21(29)15-26(2)12-5-6-18-13-19(25-24-18)16-7-9-17(22)10-8-16/h7-10,13H,4-6,11-12,14-15H2,1-3H3,(H,23,28)(H,24,25).
What are the key properties of 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide?
2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide has a molecular weight of 403.50 g/mol, XLogP of 2.06, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 56570898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).