4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide

C19H27N3O2 — CID 49014961

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCCOC(C)C)cc2)n1
InChIInChI=1S/C19H27N3O2/c1-14(2)24-11-5-10-20-19(23)18-8-6-17(7-9-18)13-22-16(4)12-15(3)21-22/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,20,23)
InChIKeyPEQYECVSRUAIJQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.09
Rot. Bonds8

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 49014961) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID49014961
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCCCOC(C)C)cc2)n1
InChIInChI=1S/C19H27N3O2/c1-14(2)24-11-5-10-20-19(23)18-8-6-17(7-9-18)13-22-16(4)12-15(3)21-22/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,20,23)
InChIKeyPEQYECVSRUAIJQ-UHFFFAOYSA-N
XLogP3.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 48986640
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
CID 95869297
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 100585329
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide
CID 100585287
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 27681722
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-propoxyphenyl)propyl]benzamide
CID 100586083
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-ethoxyphenyl)propyl]benzamide
CID 100585299
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 56901368
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 100584803
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480687

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide (CID 49014961) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCCCOC(C)C)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is PEQYECVSRUAIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)24-11-5-10-20-19(23)18-8-6-17(7-9-18)13-22-16(4)12-15(3)21-22/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,20,23).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 329.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 49014961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).