2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide

C9H16N4O — CID 79578533

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cnn(C)c1C
InChIInChI=1S/C9H16N4O/c1-7-8(5-12-13(7)3)4-11-6-9(14)10-2/h5,11H,4,6H2,1-3H3,(H,10,14)
InChIKeyPWEKTFKGNHHQEX-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.44
Rot. Bonds4

About 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide (PubChem CID 79578533) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
PubChem CID79578533
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
SMILESCNC(=O)CNCc1cnn(C)c1C
InChIInChI=1S/C9H16N4O/c1-7-8(5-12-13(7)3)4-11-6-9(14)10-2/h5,11H,4,6H2,1-3H3,(H,10,14)
InChIKeyPWEKTFKGNHHQEX-UHFFFAOYSA-N
XLogP-0.44
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
CID 103850935
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
N-(3-chlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]acetamide
CID 106044881
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
CID 102675063
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
2-[5-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 106037780

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide (CID 79578533) is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide is CNC(=O)CNCc1cnn(C)c1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide?
The InChIKey is PWEKTFKGNHHQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-8(5-12-13(7)3)4-11-6-9(14)10-2/h5,11H,4,6H2,1-3H3,(H,10,14).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide?
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide has a molecular weight of 196.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide is sourced from PubChem (CID 79578533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).