1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea

C11H17F3N4O2 — CID 75521665

IUPAC1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
SMILESCC(C)N(CCO)C(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2/c1-8(2)18(5-6-19)10(20)15-9-3-4-17(16-9)7-11(12,13)14/h3-4,8,19H,5-7H2,1-2H3,(H,15,16,20)
InChIKeyLHUZXHTVBMHZNR-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.68
Rot. Bonds5

About 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea

1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea (PubChem CID 75521665) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
PubChem CID75521665
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
SMILESCC(C)N(CCO)C(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4O2/c1-8(2)18(5-6-19)10(20)15-9-3-4-17(16-9)7-11(12,13)14/h3-4,8,19H,5-7H2,1-2H3,(H,15,16,20)
InChIKeyLHUZXHTVBMHZNR-UHFFFAOYSA-N
XLogP1.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea (CID 75521665) is 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea is CC(C)N(CCO)C(=O)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The InChIKey is LHUZXHTVBMHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-8(2)18(5-6-19)10(20)15-9-3-4-17(16-9)7-11(12,13)14/h3-4,8,19H,5-7H2,1-2H3,(H,15,16,20).
What are the key properties of 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea has a molecular weight of 294.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-propan-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 75521665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).