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

C13H25N5O2 — CID 106914616

IUPAC3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H25N5O2/c1-9-13(14)10(2)18(16-9)8-11(19)7-17(4)6-5-12(20)15-3/h11,19H,5-8,14H2,1-4H3,(H,15,20)
InChIKeyXVUPWBIPNXBDQM-UHFFFAOYSA-N
MW283.38 g/mol
LogP-0.49
Rot. Bonds7

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

3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide (PubChem CID 106914616) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide
PubChem CID106914616
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H25N5O2/c1-9-13(14)10(2)18(16-9)8-11(19)7-17(4)6-5-12(20)15-3/h11,19H,5-8,14H2,1-4H3,(H,15,20)
InChIKeyXVUPWBIPNXBDQM-UHFFFAOYSA-N
XLogP-0.49
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide (CID 106914616) is 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CC(O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide?
The InChIKey is XVUPWBIPNXBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-9-13(14)10(2)18(16-9)8-11(19)7-17(4)6-5-12(20)15-3/h11,19H,5-8,14H2,1-4H3,(H,15,20).
What are the key properties of 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide?
3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide has a molecular weight of 283.38 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-amino-3,5-dimethylpyrazol-1-yl)-2-hydroxypropyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).