2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide

C12H22N4O — CID 64705465

IUPAC2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide
SMILESCc1nn(C(C)CC(C)(N)C(N)=O)c(C)c1C
InChIInChI=1S/C12H22N4O/c1-7(6-12(5,14)11(13)17)16-10(4)8(2)9(3)15-16/h7H,6,14H2,1-5H3,(H2,13,17)
InChIKeyMYNIDDBVCYMVRJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.96
Rot. Bonds4

About 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide

2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide (PubChem CID 64705465) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide
PubChem CID64705465
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide
SMILESCc1nn(C(C)CC(C)(N)C(N)=O)c(C)c1C
InChIInChI=1S/C12H22N4O/c1-7(6-12(5,14)11(13)17)16-10(4)8(2)9(3)15-16/h7H,6,14H2,1-5H3,(H2,13,17)
InChIKeyMYNIDDBVCYMVRJ-UHFFFAOYSA-N
XLogP0.96
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide?
The IUPAC name of 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide (CID 64705465) is 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide.
What is the SMILES notation for 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide?
The canonical SMILES for 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide is Cc1nn(C(C)CC(C)(N)C(N)=O)c(C)c1C.
What is the InChIKey of 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide?
The InChIKey is MYNIDDBVCYMVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(6-12(5,14)11(13)17)16-10(4)8(2)9(3)15-16/h7H,6,14H2,1-5H3,(H2,13,17).
What are the key properties of 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide?
2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide has a molecular weight of 238.33 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide is sourced from PubChem (CID 64705465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).