4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide

C19H23N5O — CID 49078918

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)n1
InChIInChI=1S/C19H23N5O/c1-15-12-16(2)24(22-15)13-17-4-6-18(7-5-17)19(25)21-8-3-10-23-11-9-20-14-23/h4-7,9,11-12,14H,3,8,10,13H2,1-2H3,(H,21,25)
InChIKeyOWOZYBFRQFHDJR-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.56
Rot. Bonds7

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 49078918) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID49078918
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)n1
InChIInChI=1S/C19H23N5O/c1-15-12-16(2)24(22-15)13-17-4-6-18(7-5-17)19(25)21-8-3-10-23-11-9-20-14-23/h4-7,9,11-12,14H,3,8,10,13H2,1-2H3,(H,21,25)
InChIKeyOWOZYBFRQFHDJR-UHFFFAOYSA-N
XLogP2.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide (CID 49078918) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCCCn3ccnc3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is OWOZYBFRQFHDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15-12-16(2)24(22-15)13-17-4-6-18(7-5-17)19(25)21-8-3-10-23-11-9-20-14-23/h4-7,9,11-12,14H,3,8,10,13H2,1-2H3,(H,21,25).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 337.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 49078918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).