4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide

C16H21N3O — CID 26365102

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-11(2)10-17-16(20)14-5-7-15(8-6-14)19-13(4)9-12(3)18-19/h5-9,11H,10H2,1-4H3,(H,17,20)
InChIKeyMBOPKUJUBPLKEU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide (PubChem CID 26365102) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
PubChem CID26365102
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(C)C)cc2)n1
InChIInChI=1S/C16H21N3O/c1-11(2)10-17-16(20)14-5-7-15(8-6-14)19-13(4)9-12(3)18-19/h5-9,11H,10H2,1-4H3,(H,17,20)
InChIKeyMBOPKUJUBPLKEU-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119499461
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 42953752
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4782773
4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 27990683
N-[(1S)-1-cyano-3-methylbutyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 95280174
4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 31404253
4-(3,5-dimethylpyrazol-1-yl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 122135738
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide (CID 26365102) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCC(C)C)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide?
The InChIKey is MBOPKUJUBPLKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)10-17-16(20)14-5-7-15(8-6-14)19-13(4)9-12(3)18-19/h5-9,11H,10H2,1-4H3,(H,17,20).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.87, 4 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)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 26365102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).