(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide

C12H22N4O2 — CID 114255886

IUPAC(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCOc1cc(CNC(=O)[C@@H](N)C(C)(C)C)nn1C
InChIInChI=1S/C12H22N4O2/c1-12(2,3)10(13)11(17)14-7-8-6-9(18-5)16(4)15-8/h6,10H,7,13H2,1-5H3,(H,14,17)/t10-/m1/s1
InChIKeyNUVKKMXLLCOZOJ-SNVBAGLBSA-N
MW254.33 g/mol
LogP0.42
Rot. Bonds4

About (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 114255886) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
PubChem CID114255886
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCOc1cc(CNC(=O)[C@@H](N)C(C)(C)C)nn1C
InChIInChI=1S/C12H22N4O2/c1-12(2,3)10(13)11(17)14-7-8-6-9(18-5)16(4)15-8/h6,10H,7,13H2,1-5H3,(H,14,17)/t10-/m1/s1
InChIKeyNUVKKMXLLCOZOJ-SNVBAGLBSA-N
XLogP0.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide
CID 114255881
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
3-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114256151
2-amino-3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 76923478
2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
CID 114256149
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
3,3,3-trifluoro-2-[[(5-methoxy-1-methylpyrazol-3-yl)methylamino]methyl]propanoic acid
CID 114256089
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide (CID 114255886) is (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide is COc1cc(CNC(=O)[C@@H](N)C(C)(C)C)nn1C.
What is the InChIKey of (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is NUVKKMXLLCOZOJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,3)10(13)11(17)14-7-8-6-9(18-5)16(4)15-8/h6,10H,7,13H2,1-5H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 254.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 114255886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).