(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C10H16N4O2 — CID 104959820

IUPAC(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2N)C[C@H](C)O1
InChIInChI=1S/C10H16N4O2/c1-6-4-14(5-7(2)16-6)10(15)8-3-12-13-9(8)11/h3,6-7H,4-5H2,1-2H3,(H3,11,12,13)/t6-,7+
InChIKeyPPANIMUEHYQTTH-KNVOCYPGSA-N
MW224.26 g/mol
LogP0.24
Rot. Bonds1

About (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 104959820) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID104959820
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2N)C[C@H](C)O1
InChIInChI=1S/C10H16N4O2/c1-6-4-14(5-7(2)16-6)10(15)8-3-12-13-9(8)11/h3,6-7H,4-5H2,1-2H3,(H3,11,12,13)/t6-,7+
InChIKeyPPANIMUEHYQTTH-KNVOCYPGSA-N
XLogP0.24
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 104959820) is (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cn[nH]c2N)C[C@H](C)O1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is PPANIMUEHYQTTH-KNVOCYPGSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-4-14(5-7(2)16-6)10(15)8-3-12-13-9(8)11/h3,6-7H,4-5H2,1-2H3,(H3,11,12,13)/t6-,7+.
What are the key properties of (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
(5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 224.26 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 104959820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).