1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea

C22H17F3N4O2 — CID 58011122

IUPAC1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea
SMILESCOc1cccc(-n2nc(C(F)(F)F)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H17F3N4O2/c1-31-16-9-5-8-15(12-16)29-20(13-19(28-29)22(23,24)25)27-21(30)26-18-11-4-7-14-6-2-3-10-17(14)18/h2-13H,1H3,(H2,26,27,30)
InChIKeyJUMKDBBNHWKVNZ-UHFFFAOYSA-N
MW426.40 g/mol
LogP5.70
Rot. Bonds4

About 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea

1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea (PubChem CID 58011122) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea
PubChem CID58011122
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea
SMILESCOc1cccc(-n2nc(C(F)(F)F)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C22H17F3N4O2/c1-31-16-9-5-8-15(12-16)29-20(13-19(28-29)22(23,24)25)27-21(30)26-18-11-4-7-14-6-2-3-10-17(14)18/h2-13H,1H3,(H2,26,27,30)
InChIKeyJUMKDBBNHWKVNZ-UHFFFAOYSA-N
XLogP5.70
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea 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

2-[3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenoxy]acetic acid
CID 58842920
1-[3-tert-butyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 18449824
1-[3-tert-butyl-1-[3-(2-hydroxypropyl)phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 69338647
2-[3-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]phenyl]propanoic acid
CID 141095324
1-[3-tert-butyl-1-[3-[(3,5-dioxo-2-phenyl-1,2,4-thiadiazolidin-4-yl)methyl]phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 18449848
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[ethyl(naphthalen-1-ylcarbamoyl)amino]acetamide
CID 1067207
1-[3-tert-butyl-1-[4-(1-hydroxypropan-2-yl)phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 68894654
5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-N-(cyanomethyl)-2-methylbenzamide
CID 52949301
1-[3-tert-butyl-1-[3-[(2,4,5-trioxoimidazolidin-1-yl)methyl]phenyl]pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 18449843
1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-6-yl)pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 58851367
1-[1-[3-(hydroxymethyl)phenyl]-3-propylpyrazol-5-yl]-3-naphthalen-1-ylurea
CID 163902961
[(2S)-1-oxo-1-[[3-[5-(phenylcarbamoylamino)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-2-yl]carbamic acid
CID 69453935

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea (CID 58011122) is 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea is COc1cccc(-n2nc(C(F)(F)F)cc2NC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea?
The InChIKey is JUMKDBBNHWKVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-31-16-9-5-8-15(12-16)29-20(13-19(28-29)22(23,24)25)27-21(30)26-18-11-4-7-14-6-2-3-10-17(14)18/h2-13H,1H3,(H2,26,27,30).
What are the key properties of 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea?
1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea has a molecular weight of 426.40 g/mol, XLogP of 5.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 58011122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).