4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide

C20H30N4O — CID 26197510

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2)n1
InChIInChI=1S/C20H30N4O/c1-14(2)23(15(3)4)12-11-21-20(25)18-7-9-19(10-8-18)24-17(6)13-16(5)22-24/h7-10,13-15H,11-12H2,1-6H3,(H,21,25)
InChIKeyPGTRVPNUTKIDQL-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.34
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide (PubChem CID 26197510) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
PubChem CID26197510
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2)n1
InChIInChI=1S/C20H30N4O/c1-14(2)23(15(3)4)12-11-21-20(25)18-7-9-19(10-8-18)24-17(6)13-16(5)22-24/h7-10,13-15H,11-12H2,1-6H3,(H,21,25)
InChIKeyPGTRVPNUTKIDQL-UHFFFAOYSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-methylpropyl)benzamide
CID 26365102
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 27990683
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 110022369
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 42953752
N-[2-[di(propan-2-yl)amino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24560136
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide (CID 26197510) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCCN(C(C)C)C(C)C)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is PGTRVPNUTKIDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-14(2)23(15(3)4)12-11-21-20(25)18-7-9-19(10-8-18)24-17(6)13-16(5)22-24/h7-10,13-15H,11-12H2,1-6H3,(H,21,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 342.49 g/mol, XLogP of 3.34, 7 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)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 26197510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).