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

C18H27ClN4O — CID 119704784

IUPAC3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1.Cl
InChIInChI=1S/C18H26N4O.ClH/c1-13(19)10-17(23)20-16-11-15(18(2,3)4)21-22(16)12-14-8-6-5-7-9-14;/h5-9,11,13H,10,12,19H2,1-4H3,(H,20,23);1H
InChIKeyFIWPKNWNXFVNOA-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.33
Rot. Bonds5

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

3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride (PubChem CID 119704784) has the molecular formula C18H27ClN4O and a molecular weight of 350.89 g/mol. Its IUPAC name is 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
PubChem CID119704784
Molecular FormulaC18H27ClN4O
Molecular Weight350.89 g/mol
Exact Mass350.19
IUPAC Name3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1.Cl
InChIInChI=1S/C18H26N4O.ClH/c1-13(19)10-17(23)20-16-11-15(18(2,3)4)21-22(16)12-14-8-6-5-7-9-14;/h5-9,11,13H,10,12,19H2,1-4H3,(H,20,23);1H
InChIKeyFIWPKNWNXFVNOA-UHFFFAOYSA-N
XLogP3.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704768
7-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)heptanamide
CID 119704765
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)-3-(4-methylphenyl)sulfonylpropanamide
CID 55555165
1-(1-benzyl-3-tert-butylpyrazol-5-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110891166
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
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
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-bromo-5-fluorobenzamide
CID 55555171
N-[4-[(1-benzyl-3-tert-butylpyrazol-5-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 55555083
4-(2-amino-2-oxoethoxy)-N-(1-benzyl-3-tert-butylpyrazol-5-yl)-3,5-dimethoxybenzamide
CID 52564102

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride (CID 119704784) is 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride is CC(N)CC(=O)Nc1cc(C(C)(C)C)nn1Cc1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride?
The InChIKey is FIWPKNWNXFVNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O.ClH/c1-13(19)10-17(23)20-16-11-15(18(2,3)4)21-22(16)12-14-8-6-5-7-9-14;/h5-9,11,13H,10,12,19H2,1-4H3,(H,20,23);1H.
What are the key properties of 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride?
3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119704784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).