(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide

C9H16N4O — CID 126982193

IUPAC(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1cc(C)n(C)n1
InChIInChI=1S/C9H16N4O/c1-6-5-8(12-13(6)4)11-9(14)7(2)10-3/h5,7,10H,1-4H3,(H,11,12,14)/t7-/m0/s1
InChIKeyYKWPLKZKARKZNA-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.27
Rot. Bonds3

About (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide

(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide (PubChem CID 126982193) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
PubChem CID126982193
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1cc(C)n(C)n1
InChIInChI=1S/C9H16N4O/c1-6-5-8(12-13(6)4)11-9(14)7(2)10-3/h5,7,10H,1-4H3,(H,11,12,14)/t7-/m0/s1
InChIKeyYKWPLKZKARKZNA-ZETCQYMHSA-N
XLogP0.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide (CID 126982193) is (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1cc(C)n(C)n1.
What is the InChIKey of (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide?
The InChIKey is YKWPLKZKARKZNA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-5-8(12-13(6)4)11-9(14)7(2)10-3/h5,7,10H,1-4H3,(H,11,12,14)/t7-/m0/s1.
What are the key properties of (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide?
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide has a molecular weight of 196.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 126982193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).