N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide

C24H28ClN3O2 — CID 19295534

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)NCCCn3nc(C)c(Cl)c3C)c2)c1
InChIInChI=1S/C24H28ClN3O2/c1-16-9-10-17(2)22(13-16)30-15-20-7-5-8-21(14-20)24(29)26-11-6-12-28-19(4)23(25)18(3)27-28/h5,7-10,13-14H,6,11-12,15H2,1-4H3,(H,26,29)
InChIKeyLMZFVWUKXLBVLE-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.17
Rot. Bonds8

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide (PubChem CID 19295534) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
PubChem CID19295534
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
SMILESCc1ccc(C)c(OCc2cccc(C(=O)NCCCn3nc(C)c(Cl)c3C)c2)c1
InChIInChI=1S/C24H28ClN3O2/c1-16-9-10-17(2)22(13-16)30-15-20-7-5-8-21(14-20)24(29)26-11-6-12-28-19(4)23(25)18(3)27-28/h5,7-10,13-14H,6,11-12,15H2,1-4H3,(H,26,29)
InChIKeyLMZFVWUKXLBVLE-UHFFFAOYSA-N
XLogP5.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.17
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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Related Compounds

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
3-[(3-bromophenoxy)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19295448
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methyl-4-nitrophenoxy)methyl]benzamide
CID 19295482
3-[(2-chloro-5-methylphenoxy)methyl]-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]benzamide
CID 19282099
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19337742
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19295521
3-[(2,4-dimethylphenoxy)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide
CID 19295755
3-[(2,4-dimethylphenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323834
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444919
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzamide
CID 19330134
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19295428

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide (CID 19295534) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide is Cc1ccc(C)c(OCc2cccc(C(=O)NCCCn3nc(C)c(Cl)c3C)c2)c1.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide?
The InChIKey is LMZFVWUKXLBVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-16-9-10-17(2)22(13-16)30-15-20-7-5-8-21(14-20)24(29)26-11-6-12-28-19(4)23(25)18(3)27-28/h5,7-10,13-14H,6,11-12,15H2,1-4H3,(H,26,29).
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide has a molecular weight of 425.96 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(2,5-dimethylphenoxy)methyl]benzamide is sourced from PubChem (CID 19295534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).