5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide

C16H20ClN3O2 — CID 91794027

IUPAC5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCc1c(C)n[nH]c1C
InChIInChI=1S/C16H20ClN3O2/c1-10-13(11(2)20-19-10)5-4-8-18-16(21)14-9-12(17)6-7-15(14)22-3/h6-7,9H,4-5,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXPFRCYKVWWRJQJ-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.05
Rot. Bonds6

About 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide

5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide (PubChem CID 91794027) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide
PubChem CID91794027
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCCc1c(C)n[nH]c1C
InChIInChI=1S/C16H20ClN3O2/c1-10-13(11(2)20-19-10)5-4-8-18-16(21)14-9-12(17)6-7-15(14)22-3/h6-7,9H,4-5,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyXPFRCYKVWWRJQJ-UHFFFAOYSA-N
XLogP3.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.05
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

2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717146
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methoxybenzamide
CID 100529406
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
CID 10689023
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]propyl]-2-methoxybenzamide
CID 22418104
5-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethylbenzamide
CID 77079296
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide (CID 91794027) is 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCCCc1c(C)n[nH]c1C.
What is the InChIKey of 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide?
The InChIKey is XPFRCYKVWWRJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-10-13(11(2)20-19-10)5-4-8-18-16(21)14-9-12(17)6-7-15(14)22-3/h6-7,9H,4-5,8H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide?
5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide has a molecular weight of 321.81 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methoxybenzamide is sourced from PubChem (CID 91794027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).