1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine

C12H21N3O — CID 128989919

IUPAC1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCC(C)[C@H]1OCC[C@@H]1CNCc1ccn[nH]1
InChIInChI=1S/C12H21N3O/c1-9(2)12-10(4-6-16-12)7-13-8-11-3-5-14-15-11/h3,5,9-10,12-13H,4,6-8H2,1-2H3,(H,14,15)/t10-,12-/m1/s1
InChIKeyMGEIJAZYBINLAJ-ZYHUDNBSSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds5

About 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine

1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 128989919) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID128989919
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESCC(C)[C@H]1OCC[C@@H]1CNCc1ccn[nH]1
InChIInChI=1S/C12H21N3O/c1-9(2)12-10(4-6-16-12)7-13-8-11-3-5-14-15-11/h3,5,9-10,12-13H,4,6-8H2,1-2H3,(H,14,15)/t10-,12-/m1/s1
InChIKeyMGEIJAZYBINLAJ-ZYHUDNBSSA-N
XLogP1.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 128989919) is 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine is CC(C)[C@H]1OCC[C@@H]1CNCc1ccn[nH]1.
What is the InChIKey of 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is MGEIJAZYBINLAJ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12-10(4-6-16-12)7-13-8-11-3-5-14-15-11/h3,5,9-10,12-13H,4,6-8H2,1-2H3,(H,14,15)/t10-,12-/m1/s1.
What are the key properties of 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-2-propan-2-yloxolan-3-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 128989919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).