7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide

C21H32N4O — CID 119704765

IUPAC7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCCCCN)n(Cc2ccccc2)n1
InChIInChI=1S/C21H32N4O/c1-21(2,3)18-15-19(23-20(26)13-9-4-5-10-14-22)25(24-18)16-17-11-7-6-8-12-17/h6-8,11-12,15H,4-5,9-10,13-14,16,22H2,1-3H3,(H,23,26)
InChIKeyOMPHICPUKAWMCM-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.08
Rot. Bonds9

About 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide

7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide (PubChem CID 119704765) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
PubChem CID119704765
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCCCCN)n(Cc2ccccc2)n1
InChIInChI=1S/C21H32N4O/c1-21(2,3)18-15-19(23-20(26)13-9-4-5-10-14-22)25(24-18)16-17-11-7-6-8-12-17/h6-8,11-12,15H,4-5,9-10,13-14,16,22H2,1-3H3,(H,23,26)
InChIKeyOMPHICPUKAWMCM-UHFFFAOYSA-N
XLogP4.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704768
3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
CID 119704784
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 55555165
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(3-hydroxypropyl)urea
CID 110891167
N-[2-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112813566
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78847394
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-bromo-5-fluorobenzamide
CID 55555171
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
CID 119704778
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55555008
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110891166
4-amino-N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]butanamide;hydrochloride
CID 119294975
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide?
The IUPAC name of 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide (CID 119704765) is 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide?
The canonical SMILES for 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide is CC(C)(C)c1cc(NC(=O)CCCCCCN)n(Cc2ccccc2)n1.
What is the InChIKey of 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide?
The InChIKey is OMPHICPUKAWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-21(2,3)18-15-19(23-20(26)13-9-4-5-10-14-22)25(24-18)16-17-11-7-6-8-12-17/h6-8,11-12,15H,4-5,9-10,13-14,16,22H2,1-3H3,(H,23,26).
What are the key properties of 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide?
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide has a molecular weight of 356.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide is sourced from PubChem (CID 119704765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).