5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide

C18H18Cl2F3N3O2 — CID 19324157

IUPAC5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C18H18Cl2F3N3O2/c1-28-13-6-5-11(19)9-12(13)17(27)24-7-2-8-26-15(10-3-4-10)14(20)16(25-26)18(21,22)23/h5-6,9-10H,2-4,7-8H2,1H3,(H,24,27)
InChIKeyPWPBSPSYYPIUBR-UHFFFAOYSA-N
MW436.26 g/mol
LogP4.91
Rot. Bonds7

About 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide

5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide (PubChem CID 19324157) has the molecular formula C18H18Cl2F3N3O2 and a molecular weight of 436.26 g/mol. Its IUPAC name is 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
PubChem CID19324157
Molecular FormulaC18H18Cl2F3N3O2
Molecular Weight436.26 g/mol
Exact Mass435.07
IUPAC Name5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C18H18Cl2F3N3O2/c1-28-13-6-5-11(19)9-12(13)17(27)24-7-2-8-26-15(10-3-4-10)14(20)16(25-26)18(21,22)23/h5-6,9-10H,2-4,7-8H2,1H3,(H,24,27)
InChIKeyPWPBSPSYYPIUBR-UHFFFAOYSA-N
XLogP4.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide (CID 19324157) is 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
The InChIKey is PWPBSPSYYPIUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F3N3O2/c1-28-13-6-5-11(19)9-12(13)17(27)24-7-2-8-26-15(10-3-4-10)14(20)16(25-26)18(21,22)23/h5-6,9-10H,2-4,7-8H2,1H3,(H,24,27).
What are the key properties of 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide?
5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide has a molecular weight of 436.26 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide is sourced from PubChem (CID 19324157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).