1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

C16H13F3N4O2 — CID 11382514

IUPAC1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)25-11-6-4-10(5-7-11)8-20-15(24)22-13-2-1-3-14-12(13)9-21-23-14/h1-7,9H,8H2,(H,21,23)(H2,20,22,24)
InChIKeyDJTQGUFXNJDXRL-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.78
Rot. Bonds4

About 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea

1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 11382514) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID11382514
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C16H13F3N4O2/c17-16(18,19)25-11-6-4-10(5-7-11)8-20-15(24)22-13-2-1-3-14-12(13)9-21-23-14/h1-7,9H,8H2,(H,21,23)(H2,20,22,24)
InChIKeyDJTQGUFXNJDXRL-UHFFFAOYSA-N
XLogP3.78
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea (CID 11382514) is 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is DJTQGUFXNJDXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c17-16(18,19)25-11-6-4-10(5-7-11)8-20-15(24)22-13-2-1-3-14-12(13)9-21-23-14/h1-7,9H,8H2,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea?
1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 350.30 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 11382514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).