[4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

C21H15F3N4O — CID 152770734

IUPAC[4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SMILESNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)28(27-19)17-9-7-16(8-10-17)26-20(25)29/h1-12H,(H3,25,26,29)
InChIKeyNKJIBMUHGKHEMJ-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.20
Rot. Bonds3

About [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

[4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea (PubChem CID 152770734) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
PubChem CID152770734
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name[4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SMILESNC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)28(27-19)17-9-7-16(8-10-17)26-20(25)29/h1-12H,(H3,25,26,29)
InChIKeyNKJIBMUHGKHEMJ-UHFFFAOYSA-N
XLogP5.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]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

5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 70684232
4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10096122
3-amino-N-[4-[5-dibenzofuran-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
CID 56670354
2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
CID 168524264
4-[4-[1-[4-(methanesulfonamido)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide;N-[4-[5-naphthalen-1-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
CID 159710404
5-(4-methoxyphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 57334325
2-[4-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091035
5-(4-methylphenyl)-1-[4-(sulfinoamino)phenyl]-3-(trifluoromethyl)pyrazole
CID 58372565
[4-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 56683827
4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727532
4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10412689
2-methyl-5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 89423560

Frequently Asked Questions

What is the IUPAC name of [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The IUPAC name of [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea (CID 152770734) is [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea.
What is the SMILES notation for [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The canonical SMILES for [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea is NC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The InChIKey is NKJIBMUHGKHEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c22-21(23,24)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)28(27-19)17-9-7-16(8-10-17)26-20(25)29/h1-12H,(H3,25,26,29).
What are the key properties of [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
[4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea has a molecular weight of 396.37 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-naphthalen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea is sourced from PubChem (CID 152770734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).