3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide

C10H18N4O — CID 106044659

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
SMILESCc1c(CNCC(C)C(N)=O)cnn1C
InChIInChI=1S/C10H18N4O/c1-7(10(11)15)4-12-5-9-6-13-14(3)8(9)2/h6-7,12H,4-5H2,1-3H3,(H2,11,15)
InChIKeyUIXILLVDDHCABW-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.06
Rot. Bonds5

About 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide (PubChem CID 106044659) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
PubChem CID106044659
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
SMILESCc1c(CNCC(C)C(N)=O)cnn1C
InChIInChI=1S/C10H18N4O/c1-7(10(11)15)4-12-5-9-6-13-14(3)8(9)2/h6-7,12H,4-5H2,1-3H3,(H2,11,15)
InChIKeyUIXILLVDDHCABW-UHFFFAOYSA-N
XLogP-0.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide (CID 106044659) is 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide is Cc1c(CNCC(C)C(N)=O)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide?
The InChIKey is UIXILLVDDHCABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(10(11)15)4-12-5-9-6-13-14(3)8(9)2/h6-7,12H,4-5H2,1-3H3,(H2,11,15).
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide?
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide has a molecular weight of 210.28 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 106044659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).