2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol

C10H19N3O3 — CID 115655444

IUPAC2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
SMILESCOc1c(CNC(CO)CO)c(C)nn1C
InChIInChI=1S/C10H19N3O3/c1-7-9(4-11-8(5-14)6-15)10(16-3)13(2)12-7/h8,11,14-15H,4-6H2,1-3H3
InChIKeyOLSDVGMWYPXAKP-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.82
Rot. Bonds6

About 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol (PubChem CID 115655444) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
PubChem CID115655444
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
SMILESCOc1c(CNC(CO)CO)c(C)nn1C
InChIInChI=1S/C10H19N3O3/c1-7-9(4-11-8(5-14)6-15)10(16-3)13(2)12-7/h8,11,14-15H,4-6H2,1-3H3
InChIKeyOLSDVGMWYPXAKP-UHFFFAOYSA-N
XLogP-0.82
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 113381760
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 115608261
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide
CID 94823326
2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 114010486
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 132970502
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615260
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 104860868
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604266
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol
CID 113463407

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol (CID 115655444) is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol is COc1c(CNC(CO)CO)c(C)nn1C.
What is the InChIKey of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol?
The InChIKey is OLSDVGMWYPXAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7-9(4-11-8(5-14)6-15)10(16-3)13(2)12-7/h8,11,14-15H,4-6H2,1-3H3.
What are the key properties of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol?
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol has a molecular weight of 229.28 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 115655444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).