N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide

C11H20N4O — CID 61349855

IUPACN-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
SMILESCC(C)CNC(=O)CNCc1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-9(2)4-13-11(16)7-12-5-10-6-14-15(3)8-10/h6,8-9,12H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyQUXWWZLGRCVSDX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.28
Rot. Bonds6

About N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide

N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide (PubChem CID 61349855) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
PubChem CID61349855
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
SMILESCC(C)CNC(=O)CNCc1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-9(2)4-13-11(16)7-12-5-10-6-14-15(3)8-10/h6,8-9,12H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyQUXWWZLGRCVSDX-UHFFFAOYSA-N
XLogP0.28
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643
(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 104903310
2-[(5-bromo-3-pyridinyl)methylamino]-N-(2-methylpropyl)acetamide
CID 113454208
(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 119750202
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 112549530
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349844
(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
N-(2-methylpropyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95346557

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide (CID 61349855) is N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide is CC(C)CNC(=O)CNCc1cnn(C)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is QUXWWZLGRCVSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)4-13-11(16)7-12-5-10-6-14-15(3)8-10/h6,8-9,12H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide?
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 61349855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).