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

C16H13F3N4O — CID 11416356

IUPAC1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)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)
InChIKeyMMDHAGYNJNCDAF-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.90
Rot. Bonds3

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

1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 11416356) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID11416356
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)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)
InChIKeyMMDHAGYNJNCDAF-UHFFFAOYSA-N
XLogP3.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]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

Abt 102
CID 11256560
Abt-116
CID 46890602
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
3-1H-indol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 10314759
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16748249
1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749350

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 11416356) is 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is MMDHAGYNJNCDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)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-(trifluoromethyl)phenyl]methyl]urea?
1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 334.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 11416356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).