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

C16H22N4O — CID 119499461

IUPACN-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCC(C)N)cc2)n1
InChIInChI=1S/C16H22N4O/c1-11(17)8-9-18-16(21)14-4-6-15(7-5-14)20-13(3)10-12(2)19-20/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,21)
InChIKeyNSSUUIVKZURKOS-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds5

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

N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 119499461) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID119499461
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCCC(C)N)cc2)n1
InChIInChI=1S/C16H22N4O/c1-11(17)8-9-18-16(21)14-4-6-15(7-5-14)20-13(3)10-12(2)19-20/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,21)
InChIKeyNSSUUIVKZURKOS-UHFFFAOYSA-N
XLogP1.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119499692
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
N-(3-aminopropyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 119408817
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
4-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 27990683
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
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-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
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 N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 119499461) is N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCCC(C)N)cc2)n1.
What is the InChIKey of N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is NSSUUIVKZURKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(17)8-9-18-16(21)14-4-6-15(7-5-14)20-13(3)10-12(2)19-20/h4-7,10-11H,8-9,17H2,1-3H3,(H,18,21).
What are the key properties of N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 286.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 119499461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).