N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide

C13H24N4O — CID 119597627

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cc1cnn(C)c1
InChIInChI=1S/C13H24N4O/c1-10(2)6-13(3,9-14)16-12(18)5-11-7-15-17(4)8-11/h7-8,10H,5-6,9,14H2,1-4H3,(H,16,18)
InChIKeyLJAIORDHPAXVMK-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.84
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 119597627) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID119597627
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cc1cnn(C)c1
InChIInChI=1S/C13H24N4O/c1-10(2)6-13(3,9-14)16-12(18)5-11-7-15-17(4)8-11/h7-8,10H,5-6,9,14H2,1-4H3,(H,16,18)
InChIKeyLJAIORDHPAXVMK-UHFFFAOYSA-N
XLogP0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide;dihydrochloride
CID 119572498
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 119608019
3-(aminomethyl)-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116610954
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 81487195
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 119598620
4-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116614716
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 119599764
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 119599384

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide (CID 119597627) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide is CC(C)CC(C)(CN)NC(=O)Cc1cnn(C)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is LJAIORDHPAXVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)6-13(3,9-14)16-12(18)5-11-7-15-17(4)8-11/h7-8,10H,5-6,9,14H2,1-4H3,(H,16,18).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 119597627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).