2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol

C10H19N3O2 — CID 50951907

IUPAC2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol
SMILESCCC(NC(CO)CO)c1ccnn1C
InChIInChI=1S/C10H19N3O2/c1-3-9(12-8(6-14)7-15)10-4-5-11-13(10)2/h4-5,8-9,12,14-15H,3,6-7H2,1-2H3
InChIKeyPPRDDYJPFWBNLP-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.19
Rot. Bonds6

About 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol

2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol (PubChem CID 50951907) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol
PubChem CID50951907
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol
SMILESCCC(NC(CO)CO)c1ccnn1C
InChIInChI=1S/C10H19N3O2/c1-3-9(12-8(6-14)7-15)10-4-5-11-13(10)2/h4-5,8-9,12,14-15H,3,6-7H2,1-2H3
InChIKeyPPRDDYJPFWBNLP-UHFFFAOYSA-N
XLogP-0.19
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol?
The IUPAC name of 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol (CID 50951907) is 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol.
What is the SMILES notation for 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol?
The canonical SMILES for 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol is CCC(NC(CO)CO)c1ccnn1C.
What is the InChIKey of 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol?
The InChIKey is PPRDDYJPFWBNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-3-9(12-8(6-14)7-15)10-4-5-11-13(10)2/h4-5,8-9,12,14-15H,3,6-7H2,1-2H3.
What are the key properties of 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol?
2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol has a molecular weight of 213.28 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpyrazol-3-yl)propylamino]propane-1,3-diol is sourced from PubChem (CID 50951907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).