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

C23H27N3O — CID 100585287

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide
SMILESCc1cccc(CCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1
InChIInChI=1S/C23H27N3O/c1-17-6-4-7-20(14-17)8-5-13-24-23(27)22-11-9-21(10-12-22)16-26-19(3)15-18(2)25-26/h4,6-7,9-12,14-15H,5,8,13,16H2,1-3H3,(H,24,27)
InChIKeyJAEJVOCVWCPTPW-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.22
Rot. Bonds7

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide (PubChem CID 100585287) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide
PubChem CID100585287
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide
SMILESCc1cccc(CCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1
InChIInChI=1S/C23H27N3O/c1-17-6-4-7-20(14-17)8-5-13-24-23(27)22-11-9-21(10-12-22)16-26-19(3)15-18(2)25-26/h4,6-7,9-12,14-15H,5,8,13,16H2,1-3H3,(H,24,27)
InChIKeyJAEJVOCVWCPTPW-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.22
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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 49014961
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-ethoxyphenyl)propyl]benzamide
CID 100585299
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 91776324
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100586083
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 100585329
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 56882872
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293753
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
CID 95869297
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 56901368

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide (CID 100585287) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide is Cc1cccc(CCCNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide?
The InChIKey is JAEJVOCVWCPTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-6-4-7-20(14-17)8-5-13-24-23(27)22-11-9-21(10-12-22)16-26-19(3)15-18(2)25-26/h4,6-7,9-12,14-15H,5,8,13,16H2,1-3H3,(H,24,27).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide has a molecular weight of 361.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 100585287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).