4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide

C18H25N3O — CID 48981331

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C18H25N3O/c1-5-6-13(2)19-18(22)17-9-7-16(8-10-17)12-21-15(4)11-14(3)20-21/h7-11,13H,5-6,12H2,1-4H3,(H,19,22)
InChIKeyQQXJRAVULNWIHT-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.47
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide (PubChem CID 48981331) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
PubChem CID48981331
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C18H25N3O/c1-5-6-13(2)19-18(22)17-9-7-16(8-10-17)12-21-15(4)11-14(3)20-21/h7-11,13H,5-6,12H2,1-4H3,(H,19,22)
InChIKeyQQXJRAVULNWIHT-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-3-methylpentanoic acid
CID 119194190
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2S)-4-methyl-4-phenylpentan-2-yl]benzamide
CID 100586131
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100584519
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1R)-1-(2-methylphenyl)propyl]benzamide
CID 100586569
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 49080458
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-4-phenylbutanoic acid
CID 119201245
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100585501
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 95897931
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
CID 95869297
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 49014961
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-pentan-2-ylbenzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide (CID 48981331) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccc(Cn2nc(C)cc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide?
The InChIKey is QQXJRAVULNWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-6-13(2)19-18(22)17-9-7-16(8-10-17)12-21-15(4)11-14(3)20-21/h7-11,13H,5-6,12H2,1-4H3,(H,19,22).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide has a molecular weight of 299.42 g/mol, XLogP of 3.47, 6 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-pentan-2-ylbenzamide is sourced from PubChem (CID 48981331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).