1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea

C23H34FN5O2 — CID 55994235

IUPAC1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C23H34FN5O2/c1-18(17-29-11-13-31-14-12-29)25-23(30)28(2)10-5-3-4-9-21-16-22(27-26-21)19-7-6-8-20(24)15-19/h6-8,15-16,18H,3-5,9-14,17H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyALPFGOLTOCSUHS-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.29
Rot. Bonds10

About 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea

1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea (PubChem CID 55994235) has the molecular formula C23H34FN5O2 and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea
PubChem CID55994235
Molecular FormulaC23H34FN5O2
Molecular Weight431.56 g/mol
Exact Mass431.27
IUPAC Name1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C23H34FN5O2/c1-18(17-29-11-13-31-14-12-29)25-23(30)28(2)10-5-3-4-9-21-16-22(27-26-21)19-7-6-8-20(24)15-19/h6-8,15-16,18H,3-5,9-14,17H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyALPFGOLTOCSUHS-UHFFFAOYSA-N
XLogP3.29
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea (CID 55994235) is 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea is CC(CN1CCOCC1)NC(=O)N(C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1.
What is the InChIKey of 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is ALPFGOLTOCSUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN5O2/c1-18(17-29-11-13-31-14-12-29)25-23(30)28(2)10-5-3-4-9-21-16-22(27-26-21)19-7-6-8-20(24)15-19/h6-8,15-16,18H,3-5,9-14,17H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea?
1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 431.56 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 55994235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).