1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

C15H15F3N4O2 — CID 72719650

IUPAC1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)10-1-3-11(4-2-10)20-14(23)21-12-7-19-22(8-12)13-5-6-24-9-13/h1-4,7-8,13H,5-6,9H2,(H2,20,21,23)
InChIKeyNPVVDAKYBFBRLR-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.51
Rot. Bonds3

About 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 72719650) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID72719650
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)10-1-3-11(4-2-10)20-14(23)21-12-7-19-22(8-12)13-5-6-24-9-13/h1-4,7-8,13H,5-6,9H2,(H2,20,21,23)
InChIKeyNPVVDAKYBFBRLR-UHFFFAOYSA-N
XLogP3.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-N'-[4-(trifluoromethyl)phenyl]urea
CID 2807796
US10323022, Example 649
CID 71041139
N-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(1H-pyrazol-1-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 72858235
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801
1-[1-(2-Methoxyethyl)pyrazol-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 45831991
1-[1-(2,6-Difluorophenyl)propan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45833087
1-(4-Methylphenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027607
3-[Benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide
CID 47048247
1-(2-Methoxyethyl)-3-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]urea
CID 48559874
1-[[4-(2-methoxyethylamino)phenyl]methyl]-3-(1H-pyrazol-4-yl)urea
CID 51107493
1-[2-(Dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 53498533
1-(1-Ethylpyrazol-4-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 53506358

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 72719650) is 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NPVVDAKYBFBRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)10-1-3-11(4-2-10)20-14(23)21-12-7-19-22(8-12)13-5-6-24-9-13/h1-4,7-8,13H,5-6,9H2,(H2,20,21,23).
What are the key properties of 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 340.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-3-yl)pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 72719650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).