2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide

C12H22N4O — CID 43116783

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide
SMILESCc1nn(C(C)C(=O)NC(C)(C)C)c(C)c1N
InChIInChI=1S/C12H22N4O/c1-7-10(13)8(2)16(15-7)9(3)11(17)14-12(4,5)6/h9H,13H2,1-6H3,(H,14,17)
InChIKeyBZTFQFKMVYAKIM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.56
Rot. Bonds2

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide (PubChem CID 43116783) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide
PubChem CID43116783
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide
SMILESCc1nn(C(C)C(=O)NC(C)(C)C)c(C)c1N
InChIInChI=1S/C12H22N4O/c1-7-10(13)8(2)16(15-7)9(3)11(17)14-12(4,5)6/h9H,13H2,1-6H3,(H,14,17)
InChIKeyBZTFQFKMVYAKIM-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide (CID 43116783) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide is Cc1nn(C(C)C(=O)NC(C)(C)C)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide?
The InChIKey is BZTFQFKMVYAKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7-10(13)8(2)16(15-7)9(3)11(17)14-12(4,5)6/h9H,13H2,1-6H3,(H,14,17).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-tert-butylpropanamide is sourced from PubChem (CID 43116783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).