3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide

C11H20N4O — CID 106047225

IUPAC3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
SMILESCc1c(CNC(=O)C(C)C(C)N)cnn1C
InChIInChI=1S/C11H20N4O/c1-7(8(2)12)11(16)13-5-10-6-14-15(4)9(10)3/h6-8H,5,12H2,1-4H3,(H,13,16)
InChIKeySXIGGNRBXFCGMO-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.33
Rot. Bonds4

About 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide

3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide (PubChem CID 106047225) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
PubChem CID106047225
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
SMILESCc1c(CNC(=O)C(C)C(C)N)cnn1C
InChIInChI=1S/C11H20N4O/c1-7(8(2)12)11(16)13-5-10-6-14-15(4)9(10)3/h6-8H,5,12H2,1-4H3,(H,13,16)
InChIKeySXIGGNRBXFCGMO-UHFFFAOYSA-N
XLogP0.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106047403
2-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19537511
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
(2S)-2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-phenylbutanamide
CID 106047350
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide
CID 124845276
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
(1,5-dimethylpyrazol-4-yl)methylthiourea
CID 106032933

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide (CID 106047225) is 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide is Cc1c(CNC(=O)C(C)C(C)N)cnn1C.
What is the InChIKey of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide?
The InChIKey is SXIGGNRBXFCGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(8(2)12)11(16)13-5-10-6-14-15(4)9(10)3/h6-8H,5,12H2,1-4H3,(H,13,16).
What are the key properties of 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide?
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide is sourced from PubChem (CID 106047225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).