2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

C11H20N4O — CID 132968617

IUPAC2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-9(2)5-15(8-11(12)16)7-10-4-13-14(3)6-10/h4,6,9H,5,7-8H2,1-3H3,(H2,12,16)
InChIKeyUWROQFBINDUZOS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.36
Rot. Bonds6

About 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 132968617) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID132968617
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-9(2)5-15(8-11(12)16)7-10-4-13-14(3)6-10/h4,6,9H,5,7-8H2,1-3H3,(H2,12,16)
InChIKeyUWROQFBINDUZOS-UHFFFAOYSA-N
XLogP0.36
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77096435
3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
CID 60691101
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide
CID 103002963
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 46988045
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942559
N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 116518920
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (CID 132968617) is 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is CC(C)CN(CC(N)=O)Cc1cnn(C)c1.
What is the InChIKey of 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is UWROQFBINDUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)5-15(8-11(12)16)7-10-4-13-14(3)6-10/h4,6,9H,5,7-8H2,1-3H3,(H2,12,16).
What are the key properties of 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 224.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 132968617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).