1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea

C13H20F3N5O2 — CID 146091866

IUPAC1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)Nc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C13H20F3N5O2/c1-9(7-21-3-5-23-6-4-21)17-12(22)18-10-8-20(2)19-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H2,17,18,22)
InChIKeyHYXOYFHWLUDZFZ-UHFFFAOYSA-N
MW335.33 g/mol
LogP1.28
Rot. Bonds4

About 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea

1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea (PubChem CID 146091866) has the molecular formula C13H20F3N5O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea
PubChem CID146091866
Molecular FormulaC13H20F3N5O2
Molecular Weight335.33 g/mol
Exact Mass335.16
IUPAC Name1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)Nc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C13H20F3N5O2/c1-9(7-21-3-5-23-6-4-21)17-12(22)18-10-8-20(2)19-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H2,17,18,22)
InChIKeyHYXOYFHWLUDZFZ-UHFFFAOYSA-N
XLogP1.28
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea (CID 146091866) is 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea is CC(CN1CCOCC1)NC(=O)Nc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is HYXOYFHWLUDZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O2/c1-9(7-21-3-5-23-6-4-21)17-12(22)18-10-8-20(2)19-11(10)13(14,15)16/h8-9H,3-7H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea?
1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 335.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-(1-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 146091866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).