3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one

C15H21N5O2 — CID 125001935

IUPAC3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCc1c(CCC(=O)N2CCOC[C@H]2c2ccn[nH]2)cnn1C
InChIInChI=1S/C15H21N5O2/c1-11-12(9-17-19(11)2)3-4-15(21)20-7-8-22-10-14(20)13-5-6-16-18-13/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeySGVJNZRFZWOEJR-AWEZNQCLSA-N
MW303.37 g/mol
LogP0.98
Rot. Bonds4

About 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one

3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one (PubChem CID 125001935) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
PubChem CID125001935
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
SMILESCc1c(CCC(=O)N2CCOC[C@H]2c2ccn[nH]2)cnn1C
InChIInChI=1S/C15H21N5O2/c1-11-12(9-17-19(11)2)3-4-15(21)20-7-8-22-10-14(20)13-5-6-16-18-13/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,16,18)/t14-/m0/s1
InChIKeySGVJNZRFZWOEJR-AWEZNQCLSA-N
XLogP0.98
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one with MolForge

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 110114754
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114639
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114673
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006153
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125006152
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 124991678
(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124962888
3-(1,5-dimethylpyrazol-4-yl)-1-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 124950564
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124991742

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one (CID 125001935) is 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one is Cc1c(CCC(=O)N2CCOC[C@H]2c2ccn[nH]2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one?
The InChIKey is SGVJNZRFZWOEJR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-12(9-17-19(11)2)3-4-15(21)20-7-8-22-10-14(20)13-5-6-16-18-13/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,16,18)/t14-/m0/s1.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one?
3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one has a molecular weight of 303.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 125001935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).