1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea

C21H17ClF4N4O3 — CID 70816088

IUPAC1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea
SMILESO=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1ccc(C2(O)COC2)c(F)c1
InChIInChI=1S/C21H17ClF4N4O3/c22-12-2-1-3-14(6-12)30-15(8-18(29-30)21(24,25)26)9-27-19(31)28-13-4-5-16(17(23)7-13)20(32)10-33-11-20/h1-8,32H,9-11H2,(H2,27,28,31)
InChIKeyZMXMIWGBIDAZLV-UHFFFAOYSA-N
MW484.84 g/mol
LogP4.22
Rot. Bonds5

About 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea

1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea (PubChem CID 70816088) has the molecular formula C21H17ClF4N4O3 and a molecular weight of 484.84 g/mol. Its IUPAC name is 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea
PubChem CID70816088
Molecular FormulaC21H17ClF4N4O3
Molecular Weight484.84 g/mol
Exact Mass484.09
IUPAC Name1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea
SMILESO=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1ccc(C2(O)COC2)c(F)c1
InChIInChI=1S/C21H17ClF4N4O3/c22-12-2-1-3-14(6-12)30-15(8-18(29-30)21(24,25)26)9-27-19(31)28-13-4-5-16(17(23)7-13)20(32)10-33-11-20/h1-8,32H,9-11H2,(H2,27,28,31)
InChIKeyZMXMIWGBIDAZLV-UHFFFAOYSA-N
XLogP4.22
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.84
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-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

N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 56836605
1-[[2-(3-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-[3-fluoro-4-(2-hydroxyethoxymethyl)phenyl]urea
CID 70815703
1-[[2-(2,3-Dimethylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-[3-fluoro-4-(hydroxymethyl)phenyl]urea
CID 70815819
1-((3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl)methyl)-3-(3-fluoro-4-(2-hydroxyethyl)phenyl)urea
CID 70815884
1-[[2-(3-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-[4-(hydroxymethyl)phenyl]urea
CID 70815946
1-[[3-Tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[4-(1,3-dihydroxy-2-methylpropan-2-yl)-3-fluorophenyl]urea
CID 70816005
1-((3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl)methyl)-3-(3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl)urea
CID 70816039
1-((1-(3-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)-3-(4-(1,2,3-trihydroxypropan-2-yl)phenyl)urea
CID 70816060
1-((3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl)methyl)-3-(3-fluoro-4-(1-hydroxycyclopropyl)phenyl)urea
CID 70816071
1-[[2-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-[3-fluoro-4-(hydroxymethyl)phenyl]urea
CID 70816072
1-((1-(3-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methyl)-3-(3-fluoro-4-(hydroxymethyl)phenyl)urea
CID 70816076
1-[[2-(4-Chloro-3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-[3-fluoro-4-(hydroxymethyl)phenyl]urea
CID 70816086

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea?
The IUPAC name of 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea (CID 70816088) is 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea.
What is the SMILES notation for 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea?
The canonical SMILES for 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea is O=C(NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)Nc1ccc(C2(O)COC2)c(F)c1.
What is the InChIKey of 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea?
The InChIKey is ZMXMIWGBIDAZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF4N4O3/c22-12-2-1-3-14(6-12)30-15(8-18(29-30)21(24,25)26)9-27-19(31)28-13-4-5-16(17(23)7-13)20(32)10-33-11-20/h1-8,32H,9-11H2,(H2,27,28,31).
What are the key properties of 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea?
1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea has a molecular weight of 484.84 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-[3-fluoro-4-(3-hydroxyoxetan-3-yl)phenyl]urea is sourced from PubChem (CID 70816088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).