(2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol

C10H19N3O3 — CID 68617736

IUPAC(2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol
SMILESCC(C)(Cn1ccc(N)n1)OC[C@@H](O)CO
InChIInChI=1S/C10H19N3O3/c1-10(2,16-6-8(15)5-14)7-13-4-3-9(11)12-13/h3-4,8,14-15H,5-7H2,1-2H3,(H2,11,12)/t8-/m0/s1
InChIKeyKBXQEJCZHWYWET-QMMMGPOBSA-N
MW229.28 g/mol
LogP-0.39
Rot. Bonds6

About (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol

(2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol (PubChem CID 68617736) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol
PubChem CID68617736
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol
SMILESCC(C)(Cn1ccc(N)n1)OC[C@@H](O)CO
InChIInChI=1S/C10H19N3O3/c1-10(2,16-6-8(15)5-14)7-13-4-3-9(11)12-13/h3-4,8,14-15H,5-7H2,1-2H3,(H2,11,12)/t8-/m0/s1
InChIKeyKBXQEJCZHWYWET-QMMMGPOBSA-N
XLogP-0.39
TPSA93.53 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 ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol?
The IUPAC name of (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol (CID 68617736) is (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol.
What is the SMILES notation for (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol?
The canonical SMILES for (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol is CC(C)(Cn1ccc(N)n1)OC[C@@H](O)CO.
What is the InChIKey of (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol?
The InChIKey is KBXQEJCZHWYWET-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,16-6-8(15)5-14)7-13-4-3-9(11)12-13/h3-4,8,14-15H,5-7H2,1-2H3,(H2,11,12)/t8-/m0/s1.
What are the key properties of (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol?
(2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol has a molecular weight of 229.28 g/mol, XLogP of -0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[1-(3-aminopyrazol-1-yl)-2-methylpropan-2-yl]oxypropane-1,2-diol is sourced from PubChem (CID 68617736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).