1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea

C15H16ClF3N4O — CID 19333992

IUPAC1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClF3N4O/c1-10-9-13(15(17,18)19)22-23(10)8-2-7-20-14(24)21-12-5-3-11(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,20,21,24)
InChIKeyRMBQFCLULZBCSS-UHFFFAOYSA-N
MW360.77 g/mol
LogP4.08
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea (PubChem CID 19333992) has the molecular formula C15H16ClF3N4O and a molecular weight of 360.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
PubChem CID19333992
Molecular FormulaC15H16ClF3N4O
Molecular Weight360.77 g/mol
Exact Mass360.10
IUPAC Name1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClF3N4O/c1-10-9-13(15(17,18)19)22-23(10)8-2-7-20-14(24)21-12-5-3-11(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,20,21,24)
InChIKeyRMBQFCLULZBCSS-UHFFFAOYSA-N
XLogP4.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19333996
1-(4-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 35766516
1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-phenylthiourea
CID 19334188
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea
CID 19334230
1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
1-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-fluorophenyl)urea
CID 17374525
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566096
2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19520695
1-(2,4-difluorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiourea
CID 17266651
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
CID 2225442
(E)-3-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]prop-2-enamide
CID 19295629

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea (CID 19333992) is 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea is Cc1cc(C(F)(F)F)nn1CCCNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The InChIKey is RMBQFCLULZBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4O/c1-10-9-13(15(17,18)19)22-23(10)8-2-7-20-14(24)21-12-5-3-11(16)4-6-12/h3-6,9H,2,7-8H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea has a molecular weight of 360.77 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea is sourced from PubChem (CID 19333992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).