1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea

C15H10F4N4O — CID 25197520

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H10F4N4O/c16-10-6-5-8(15(17,18)19)7-12(10)20-14(24)21-13-9-3-1-2-4-11(9)22-23-13/h1-7H,(H3,20,21,22,23,24)
InChIKeyOQNGGPLHATVXAM-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.36
Rot. Bonds2

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea (PubChem CID 25197520) has the molecular formula C15H10F4N4O and a molecular weight of 338.26 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea
PubChem CID25197520
Molecular FormulaC15H10F4N4O
Molecular Weight338.26 g/mol
Exact Mass338.08
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)Nc1n[nH]c2ccccc12
InChIInChI=1S/C15H10F4N4O/c16-10-6-5-8(15(17,18)19)7-12(10)20-14(24)21-13-9-3-1-2-4-11(9)22-23-13/h1-7H,(H3,20,21,22,23,24)
InChIKeyOQNGGPLHATVXAM-UHFFFAOYSA-N
XLogP4.36
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea (CID 25197520) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea is O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1n[nH]c2ccccc12.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea?
The InChIKey is OQNGGPLHATVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O/c16-10-6-5-8(15(17,18)19)7-12(10)20-14(24)21-13-9-3-1-2-4-11(9)22-23-13/h1-7H,(H3,20,21,22,23,24).
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea has a molecular weight of 338.26 g/mol, XLogP of 4.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea is sourced from PubChem (CID 25197520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).