1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

C19H16ClF3N4O — CID 19407539

IUPAC1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)nn1Cc1ccccc1Cl
InChIInChI=1S/C19H16ClF3N4O/c1-12-9-17(26-27(12)11-13-5-2-3-8-16(13)20)25-18(28)24-15-7-4-6-14(10-15)19(21,22)23/h2-10H,11H2,1H3,(H2,24,25,26,28)
InChIKeyORYOQOLGAXRXEG-UHFFFAOYSA-N
MW408.81 g/mol
LogP5.56
Rot. Bonds4

About 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 19407539) has the molecular formula C19H16ClF3N4O and a molecular weight of 408.81 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID19407539
Molecular FormulaC19H16ClF3N4O
Molecular Weight408.81 g/mol
Exact Mass408.10
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)nn1Cc1ccccc1Cl
InChIInChI=1S/C19H16ClF3N4O/c1-12-9-17(26-27(12)11-13-5-2-3-8-16(13)20)25-18(28)24-15-7-4-6-14(10-15)19(21,22)23/h2-10H,11H2,1H3,(H2,24,25,26,28)
InChIKeyORYOQOLGAXRXEG-UHFFFAOYSA-N
XLogP5.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.81
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)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-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19335237
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 19335243
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19335223
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19335164
2,4-dichloro-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19392895
N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]butanamide
CID 19392878
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-methylphenyl)thiourea
CID 19403711
1-butyl-3-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]urea
CID 19407564
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19335188
1-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 17183398

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 19407539) is 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)nn1Cc1ccccc1Cl.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is ORYOQOLGAXRXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O/c1-12-9-17(26-27(12)11-13-5-2-3-8-16(13)20)25-18(28)24-15-7-4-6-14(10-15)19(21,22)23/h2-10H,11H2,1H3,(H2,24,25,26,28).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 408.81 g/mol, XLogP of 5.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 19407539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).