1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea

C15H15F3N4O2 — CID 2820650

IUPAC1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCn1nc(C2CC2)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O2/c1-22-13(8-12(21-22)9-2-3-9)20-14(23)19-10-4-6-11(7-5-10)24-15(16,17)18/h4-9H,2-3H2,1H3,(H2,19,20,23)
InChIKeyZDEIYHYCYVKWPT-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.84
Rot. Bonds4

About 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 2820650) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID2820650
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCn1nc(C2CC2)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O2/c1-22-13(8-12(21-22)9-2-3-9)20-14(23)19-10-4-6-11(7-5-10)24-15(16,17)18/h4-9H,2-3H2,1H3,(H2,19,20,23)
InChIKeyZDEIYHYCYVKWPT-UHFFFAOYSA-N
XLogP3.84
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 2820650) is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea is Cn1nc(C2CC2)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is ZDEIYHYCYVKWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-22-13(8-12(21-22)9-2-3-9)20-14(23)19-10-4-6-11(7-5-10)24-15(16,17)18/h4-9H,2-3H2,1H3,(H2,19,20,23).
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 340.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 2820650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).