2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide

C9H16N4O — CID 82881515

IUPAC2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
SMILESCC(CNCc1ccn(C)n1)C(N)=O
InChIInChI=1S/C9H16N4O/c1-7(9(10)14)5-11-6-8-3-4-13(2)12-8/h3-4,7,11H,5-6H2,1-2H3,(H2,10,14)
InChIKeyGITBCCFELCQITB-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.37
Rot. Bonds5

About 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide

2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide (PubChem CID 82881515) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
PubChem CID82881515
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
SMILESCC(CNCc1ccn(C)n1)C(N)=O
InChIInChI=1S/C9H16N4O/c1-7(9(10)14)5-11-6-8-3-4-13(2)12-8/h3-4,7,11H,5-6H2,1-2H3,(H2,10,14)
InChIKeyGITBCCFELCQITB-UHFFFAOYSA-N
XLogP-0.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanoate
CID 106484113
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate
CID 103261820
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile
CID 82881594
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 78957770
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
CID 115623504
3-[(1-methylpyrazol-3-yl)methylamino]-2-phenylpropanoic acid
CID 82881676
1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
4-(ethylamino)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116565256
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
2-methyl-3-(pyridazin-3-ylmethylamino)propanamide
CID 106895597
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The IUPAC name of 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide (CID 82881515) is 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The canonical SMILES for 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide is CC(CNCc1ccn(C)n1)C(N)=O.
What is the InChIKey of 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide?
The InChIKey is GITBCCFELCQITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(9(10)14)5-11-6-8-3-4-13(2)12-8/h3-4,7,11H,5-6H2,1-2H3,(H2,10,14).
What are the key properties of 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide?
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide is sourced from PubChem (CID 82881515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).