N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C12H22N4O — CID 119609111

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC(C)(CN)C(C)C)n[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)12(4,7-13)14-11(17)6-10-5-9(3)15-16-10/h5,8H,6-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyNXAKHRAXHKXTQJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.75
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 119609111) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID119609111
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC(C)(CN)C(C)C)n[nH]1
InChIInChI=1S/C12H22N4O/c1-8(2)12(4,7-13)14-11(17)6-10-5-9(3)15-16-10/h5,8H,6-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyNXAKHRAXHKXTQJ-UHFFFAOYSA-N
XLogP0.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 119609013
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119609012
N-[2-(methylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 120827526
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 119606699
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide;hydrochloride
CID 120652004
N-[4-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 119606563
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 97228090
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119608489
N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 113283967

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 119609111) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)NC(C)(CN)C(C)C)n[nH]1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is NXAKHRAXHKXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)12(4,7-13)14-11(17)6-10-5-9(3)15-16-10/h5,8H,6-7,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 119609111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).