1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea

C16H12F4N4O — CID 69439691

IUPAC1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea
SMILESNC(=O)N(Cc1cc(F)cc(C(F)(F)F)c1)c1cccc2[nH]ncc12
InChIInChI=1S/C16H12F4N4O/c17-11-5-9(4-10(6-11)16(18,19)20)8-24(15(21)25)14-3-1-2-13-12(14)7-22-23-13/h1-7H,8H2,(H2,21,25)(H,22,23)
InChIKeySWTGDJDTHNIUPK-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.81
Rot. Bonds3

About 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea (PubChem CID 69439691) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea
PubChem CID69439691
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea
SMILESNC(=O)N(Cc1cc(F)cc(C(F)(F)F)c1)c1cccc2[nH]ncc12
InChIInChI=1S/C16H12F4N4O/c17-11-5-9(4-10(6-11)16(18,19)20)8-24(15(21)25)14-3-1-2-13-12(14)7-22-23-13/h1-7H,8H2,(H2,21,25)(H,22,23)
InChIKeySWTGDJDTHNIUPK-UHFFFAOYSA-N
XLogP3.81
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-chloro-3-ethylisoquinolin-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 91119736
1-(3-aminoisoquinolin-5-yl)-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 174511378
1-(1,3-benzothiazol-7-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 174498124
1-[[3-bromo-4-(trifluoromethyl)phenyl]methyl]-1-isoquinolin-5-ylurea
CID 174496833
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-1-(1H-indazol-4-yl)urea
CID 69429010
1-[8-(trifluoromethyl)isoquinolin-5-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 91579004
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 43337163
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methylbut-2-ynamide
CID 146101915
potassium trifluoro(1H-indazol-4-yl)boranuide
CID 121229109

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea (CID 69439691) is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea is NC(=O)N(Cc1cc(F)cc(C(F)(F)F)c1)c1cccc2[nH]ncc12.
What is the InChIKey of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea?
The InChIKey is SWTGDJDTHNIUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c17-11-5-9(4-10(6-11)16(18,19)20)8-24(15(21)25)14-3-1-2-13-12(14)7-22-23-13/h1-7H,8H2,(H2,21,25)(H,22,23).
What are the key properties of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea?
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea has a molecular weight of 352.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1H-indazol-4-yl)urea is sourced from PubChem (CID 69439691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).