(2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol

C10H19N3O2 — CID 70941945

IUPAC(2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol
SMILESCC(C)(Cn1cccn1)OC[C@@H](O)CN
InChIInChI=1S/C10H19N3O2/c1-10(2,15-7-9(14)6-11)8-13-5-3-4-12-13/h3-5,9,14H,6-8,11H2,1-2H3/t9-/m0/s1
InChIKeyNNJPYJBCBLTLNP-VIFPVBQESA-N
MW213.28 g/mol
LogP-0.00
Rot. Bonds6

About (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol

(2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol (PubChem CID 70941945) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol
PubChem CID70941945
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol
SMILESCC(C)(Cn1cccn1)OC[C@@H](O)CN
InChIInChI=1S/C10H19N3O2/c1-10(2,15-7-9(14)6-11)8-13-5-3-4-12-13/h3-5,9,14H,6-8,11H2,1-2H3/t9-/m0/s1
InChIKeyNNJPYJBCBLTLNP-VIFPVBQESA-N
XLogP-0.00
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol?
The IUPAC name of (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol (CID 70941945) is (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol is CC(C)(Cn1cccn1)OC[C@@H](O)CN.
What is the InChIKey of (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol?
The InChIKey is NNJPYJBCBLTLNP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,15-7-9(14)6-11)8-13-5-3-4-12-13/h3-5,9,14H,6-8,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol?
(2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol has a molecular weight of 213.28 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(2-methyl-1-pyrazol-1-ylpropan-2-yl)oxypropan-2-ol is sourced from PubChem (CID 70941945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).