3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

C16H20ClN3O — CID 43470690

IUPAC3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cccc(CCl)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-12-9-13(2)20(19-12)8-4-7-18-16(21)15-6-3-5-14(10-15)11-17/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyDWGYEZSASDTKTA-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.06
Rot. Bonds6

About 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (PubChem CID 43470690) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
PubChem CID43470690
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cccc(CCl)c2)n1
InChIInChI=1S/C16H20ClN3O/c1-12-9-13(2)20(19-12)8-4-7-18-16(21)15-6-3-5-14(10-15)11-17/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,18,21)
InChIKeyDWGYEZSASDTKTA-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitrobenzamide
CID 19293636
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
3-[[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(ethylamino)methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111280754
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-hydroxyphenyl)acetamide
CID 115603539
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
CID 103830443
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-iodothiophene-3-carboxamide
CID 78949506

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (CID 43470690) is 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is Cc1cc(C)n(CCCNC(=O)c2cccc(CCl)c2)n1.
What is the InChIKey of 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The InChIKey is DWGYEZSASDTKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12-9-13(2)20(19-12)8-4-7-18-16(21)15-6-3-5-14(10-15)11-17/h3,5-6,9-10H,4,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide has a molecular weight of 305.81 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 43470690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).