1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea

C15H11F3N4O2 — CID 25197926

IUPAC1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccccc1OC(F)(F)F)Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-12-8-4-3-7-11(12)19-14(23)20-13-9-5-1-2-6-10(9)21-22-13/h1-8H,(H3,19,20,21,22,23)
InChIKeyLFHBWBDLAQDCMK-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.11
Rot. Bonds3

About 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea

1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea (PubChem CID 25197926) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
PubChem CID25197926
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccccc1OC(F)(F)F)Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H11F3N4O2/c16-15(17,18)24-12-8-4-3-7-11(12)19-14(23)20-13-9-5-1-2-6-10(9)21-22-13/h1-8H,(H3,19,20,21,22,23)
InChIKeyLFHBWBDLAQDCMK-UHFFFAOYSA-N
XLogP4.11
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea (CID 25197926) is 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccccc1OC(F)(F)F)Nc1n[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea?
The InChIKey is LFHBWBDLAQDCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-15(17,18)24-12-8-4-3-7-11(12)19-14(23)20-13-9-5-1-2-6-10(9)21-22-13/h1-8H,(H3,19,20,21,22,23).
What are the key properties of 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea?
1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea has a molecular weight of 336.27 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 25197926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).