(2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide

C9H15N3OS — CID 95626076

IUPAC(2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H15N3OS/c1-6(5-14-3)9(13)10-8-4-7(2)11-12-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13)/t6-/m0/s1
InChIKeyCGBYVBRMCSKEGI-LURJTMIESA-N
MW213.31 g/mol
LogP1.66
Rot. Bonds4

About (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide

(2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide (PubChem CID 95626076) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
PubChem CID95626076
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name(2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
SMILESCSC[C@H](C)C(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C9H15N3OS/c1-6(5-14-3)9(13)10-8-4-7(2)11-12-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13)/t6-/m0/s1
InChIKeyCGBYVBRMCSKEGI-LURJTMIESA-N
XLogP1.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-3-methylsulfanylpropanamide
CID 84583974
2-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 117099978
6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide
CID 65291097
2-ethyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 63820066
2-acetamido-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819909
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
(5-methyl-1H-pyrazol-3-yl)carbamic acid
CID 23091960
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 75494689
(2S)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 167945977
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
3,5,5-trimethyl-N-(5-methyl-1H-pyrazol-3-yl)hexanamide
CID 60974660
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 47038591

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The IUPAC name of (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide (CID 95626076) is (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide is CSC[C@H](C)C(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
The InChIKey is CGBYVBRMCSKEGI-LURJTMIESA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(5-14-3)9(13)10-8-4-7(2)11-12-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13)/t6-/m0/s1.
What are the key properties of (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide?
(2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide has a molecular weight of 213.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 95626076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).