4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide

C14H14Cl3N3O — CID 19332207

IUPAC4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1nn(CCCNC(=O)c2ccc(Cl)cc2)c(Cl)c1Cl
InChIInChI=1S/C14H14Cl3N3O/c1-9-12(16)13(17)20(19-9)8-2-7-18-14(21)10-3-5-11(15)6-4-10/h3-6H,2,7-8H2,1H3,(H,18,21)
InChIKeyVAIPGIMHZNEHIJ-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.97
Rot. Bonds5

About 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide

4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide (PubChem CID 19332207) has the molecular formula C14H14Cl3N3O and a molecular weight of 346.65 g/mol. Its IUPAC name is 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
PubChem CID19332207
Molecular FormulaC14H14Cl3N3O
Molecular Weight346.65 g/mol
Exact Mass345.02
IUPAC Name4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
SMILESCc1nn(CCCNC(=O)c2ccc(Cl)cc2)c(Cl)c1Cl
InChIInChI=1S/C14H14Cl3N3O/c1-9-12(16)13(17)20(19-9)8-2-7-18-14(21)10-3-5-11(15)6-4-10/h3-6H,2,7-8H2,1H3,(H,18,21)
InChIKeyVAIPGIMHZNEHIJ-UHFFFAOYSA-N
XLogP3.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509582
1-[(4-chlorophenoxy)methyl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19280407
2-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 19332081
1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
CID 19334062
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263512
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323814
4-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332121
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477748
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
CID 19332159
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
CID 19525075

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide (CID 19332207) is 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide is Cc1nn(CCCNC(=O)c2ccc(Cl)cc2)c(Cl)c1Cl.
What is the InChIKey of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide?
The InChIKey is VAIPGIMHZNEHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl3N3O/c1-9-12(16)13(17)20(19-9)8-2-7-18-14(21)10-3-5-11(15)6-4-10/h3-6H,2,7-8H2,1H3,(H,18,21).
What are the key properties of 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide?
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide has a molecular weight of 346.65 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19332207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).