1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea

C11H15F3N4O — CID 178134707

IUPAC1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
SMILESC[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C1CC1
InChIInChI=1S/C11H15F3N4O/c1-7(8-2-3-8)15-10(19)16-9-4-5-18(17-9)6-11(12,13)14/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16,17,19)/t7-/m0/s1
InChIKeyZEBZAWGLEISKET-ZETCQYMHSA-N
MW276.26 g/mol
LogP2.37
Rot. Bonds4

About 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea

1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea (PubChem CID 178134707) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
PubChem CID178134707
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
SMILESC[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C1CC1
InChIInChI=1S/C11H15F3N4O/c1-7(8-2-3-8)15-10(19)16-9-4-5-18(17-9)6-11(12,13)14/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16,17,19)/t7-/m0/s1
InChIKeyZEBZAWGLEISKET-ZETCQYMHSA-N
XLogP2.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea (CID 178134707) is 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea is C[C@H](NC(=O)Nc1ccn(CC(F)(F)F)n1)C1CC1.
What is the InChIKey of 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The InChIKey is ZEBZAWGLEISKET-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7(8-2-3-8)15-10(19)16-9-4-5-18(17-9)6-11(12,13)14/h4-5,7-8H,2-3,6H2,1H3,(H2,15,16,17,19)/t7-/m0/s1.
What are the key properties of 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea has a molecular weight of 276.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropylethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 178134707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).