(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride

C13H23ClN4O2 — CID 120874002

IUPAC(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-8(14)13(18)17-5-6-19-7-11(17)12-9(2)15-16(4)10(12)3;/h8,11H,5-7,14H2,1-4H3;1H/t8-,11?;/m1./s1
InChIKeyVTDKKIDKTZQIFC-VOHHKUJWSA-N
MW302.81 g/mol
LogP0.71
Rot. Bonds2

About (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride

(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride (PubChem CID 120874002) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride
PubChem CID120874002
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride
SMILESCc1nn(C)c(C)c1C1COCCN1C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-8(14)13(18)17-5-6-19-7-11(17)12-9(2)15-16(4)10(12)3;/h8,11H,5-7,14H2,1-4H3;1H/t8-,11?;/m1./s1
InChIKeyVTDKKIDKTZQIFC-VOHHKUJWSA-N
XLogP0.71
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 120874001
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CID 97256154
2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 120552577
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 127734895
1-[(3S)-3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholin-4-yl]-2-methylpropan-1-one
CID 97343050
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254
(5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471278
1H-indazol-7-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471350
4-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]morpholine-3-carboxylic acid
CID 119216253

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride (CID 120874002) is (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride is Cc1nn(C)c(C)c1C1COCCN1C(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride?
The InChIKey is VTDKKIDKTZQIFC-VOHHKUJWSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-8(14)13(18)17-5-6-19-7-11(17)12-9(2)15-16(4)10(12)3;/h8,11H,5-7,14H2,1-4H3;1H/t8-,11?;/m1./s1.
What are the key properties of (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride?
(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120874002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).