2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide

C12H22N4O — CID 119329402

IUPAC2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide
SMILESCC(C)(C)Cc1cc(NC(=O)C(C)(C)N)n[nH]1
InChIInChI=1S/C12H22N4O/c1-11(2,3)7-8-6-9(16-15-8)14-10(17)12(4,5)13/h6H,7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyJSCKXZSMHANHNM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide

2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide (PubChem CID 119329402) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide
PubChem CID119329402
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide
SMILESCC(C)(C)Cc1cc(NC(=O)C(C)(C)N)n[nH]1
InChIInChI=1S/C12H22N4O/c1-11(2,3)7-8-6-9(16-15-8)14-10(17)12(4,5)13/h6H,7,13H2,1-5H3,(H2,14,15,16,17)
InChIKeyJSCKXZSMHANHNM-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide (CID 119329402) is 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide is CC(C)(C)Cc1cc(NC(=O)C(C)(C)N)n[nH]1.
What is the InChIKey of 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide?
The InChIKey is JSCKXZSMHANHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2,3)7-8-6-9(16-15-8)14-10(17)12(4,5)13/h6H,7,13H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide?
2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 119329402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).