5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide

C16H17ClF3N3O2 — CID 19295766

IUPAC5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C16H17ClF3N3O2/c1-10-8-14(16(18,19)20)22-23(10)7-3-6-21-15(24)12-9-11(17)4-5-13(12)25-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,21,24)
InChIKeyUMILEUKZOMMLNM-UHFFFAOYSA-N
MW375.78 g/mol
LogP3.69
Rot. Bonds6

About 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide

5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide (PubChem CID 19295766) has the molecular formula C16H17ClF3N3O2 and a molecular weight of 375.78 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide
PubChem CID19295766
Molecular FormulaC16H17ClF3N3O2
Molecular Weight375.78 g/mol
Exact Mass375.10
IUPAC Name5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C16H17ClF3N3O2/c1-10-8-14(16(18,19)20)22-23(10)7-3-6-21-15(24)12-9-11(17)4-5-13(12)25-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,21,24)
InChIKeyUMILEUKZOMMLNM-UHFFFAOYSA-N
XLogP3.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide (CID 19295766) is 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide?
The InChIKey is UMILEUKZOMMLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N3O2/c1-10-8-14(16(18,19)20)22-23(10)7-3-6-21-15(24)12-9-11(17)4-5-13(12)25-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide?
5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide has a molecular weight of 375.78 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide is sourced from PubChem (CID 19295766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).