N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride

C19H29ClN4O — CID 119704768

IUPACN-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-19(2,3)16-13-17(21-18(24)11-8-12-20-4)23(22-16)14-15-9-6-5-7-10-15;/h5-7,9-10,13,20H,8,11-12,14H2,1-4H3,(H,21,24);1H
InChIKeyZPKRTNCUPMBVTH-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.59
Rot. Bonds7

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119704768) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119704768
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC NameN-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1.Cl
InChIInChI=1S/C19H28N4O.ClH/c1-19(2,3)16-13-17(21-18(24)11-8-12-20-4)23(22-16)14-15-9-6-5-7-10-15;/h5-7,9-10,13,20H,8,11-12,14H2,1-4H3,(H,21,24);1H
InChIKeyZPKRTNCUPMBVTH-UHFFFAOYSA-N
XLogP3.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.59
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-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 55555083
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-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 55555008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)acetamide;hydrochloride
CID 119704778
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
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110891166

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride (CID 119704768) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1.Cl.
What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is ZPKRTNCUPMBVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.ClH/c1-19(2,3)16-13-17(21-18(24)11-8-12-20-4)23(22-16)14-15-9-6-5-7-10-15;/h5-7,9-10,13,20H,8,11-12,14H2,1-4H3,(H,21,24);1H.
What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride?
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119704768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).