1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

C15H17F3N4O2 — CID 94028861

IUPAC1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H17F3N4O2/c1-11(10-22-8-4-7-20-22)21-14(23)19-9-12-5-2-3-6-13(12)24-15(16,17)18/h2-8,11H,9-10H2,1H3,(H2,19,21,23)/t11-/m1/s1
InChIKeyLKMOFMQWLRLGPP-LLVKDONJSA-N
MW342.32 g/mol
LogP2.67
Rot. Bonds6

About 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea

1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 94028861) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID94028861
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
SMILESC[C@H](Cn1cccn1)NC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H17F3N4O2/c1-11(10-22-8-4-7-20-22)21-14(23)19-9-12-5-2-3-6-13(12)24-15(16,17)18/h2-8,11H,9-10H2,1H3,(H2,19,21,23)/t11-/m1/s1
InChIKeyLKMOFMQWLRLGPP-LLVKDONJSA-N
XLogP2.67
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxypentan-3-yl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 111454167
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 86876901
1-(3-hydroxy-3-phenylbutyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 138044191
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
1-[(3-methylthiophen-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206368
1-[(6-methyl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94101958
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206278
2-chloro-N-[2-ethyl-6-(trifluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
CID 54489471
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea (CID 94028861) is 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is C[C@H](Cn1cccn1)NC(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is LKMOFMQWLRLGPP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-11(10-22-8-4-7-20-22)21-14(23)19-9-12-5-2-3-6-13(12)24-15(16,17)18/h2-8,11H,9-10H2,1H3,(H2,19,21,23)/t11-/m1/s1.
What are the key properties of 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea?
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 342.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 94028861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).