(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide

C12H22N4O — CID 93368050

IUPAC(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-4-5-6-11(13)12(17)15(2)8-10-7-14-16(3)9-10/h7,9,11H,4-6,8,13H2,1-3H3/t11-/m0/s1
InChIKeyLHTSWCJQRJJSJP-NSHDSACASA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide

(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide (PubChem CID 93368050) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
PubChem CID93368050
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C12H22N4O/c1-4-5-6-11(13)12(17)15(2)8-10-7-14-16(3)9-10/h7,9,11H,4-6,8,13H2,1-3H3/t11-/m0/s1
InChIKeyLHTSWCJQRJJSJP-NSHDSACASA-N
XLogP0.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 103831501
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 61438594
2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289817
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
(2S)-2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexanamide
CID 113304780
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide (CID 93368050) is (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide is CCCC[C@H](N)C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide?
The InChIKey is LHTSWCJQRJJSJP-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-6-11(13)12(17)15(2)8-10-7-14-16(3)9-10/h7,9,11H,4-6,8,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide?
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide has a molecular weight of 238.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide is sourced from PubChem (CID 93368050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).