3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide

C12H22N4O — CID 113433629

IUPAC3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H22N4O/c1-11(2,3)8-6-9(16-15-8)14-10(17)7-12(4,5)13/h6H,7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyQMEHVVWOFZPBFA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide (PubChem CID 113433629) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
PubChem CID113433629
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H22N4O/c1-11(2,3)8-6-9(16-15-8)14-10(17)7-12(4,5)13/h6H,7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyQMEHVVWOFZPBFA-UHFFFAOYSA-N
XLogP1.77
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 64678472
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 104618270
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
CID 104621843
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloropentanamide
CID 104617741
N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
1-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
CID 115976312
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
N-(5-tert-butyl-1H-pyrazol-3-yl)heptanamide
CID 113226294

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide (CID 113433629) is 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide is CC(C)(N)CC(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide?
The InChIKey is QMEHVVWOFZPBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2,3)8-6-9(16-15-8)14-10(17)7-12(4,5)13/h6H,7,13H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide?
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide is sourced from PubChem (CID 113433629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).