(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

C15H24N4O3 — CID 124982202

IUPAC(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CC[C@](O)(CN2CCOCC2)C1
InChIInChI=1S/C15H24N4O3/c1-12-13(9-17(2)16-12)14(20)19-4-3-15(21,11-19)10-18-5-7-22-8-6-18/h9,21H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyMVMXLIKIPDOCTE-HNNXBMFYSA-N
MW308.38 g/mol
LogP-0.36
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 124982202) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID124982202
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CC[C@](O)(CN2CCOCC2)C1
InChIInChI=1S/C15H24N4O3/c1-12-13(9-17(2)16-12)14(20)19-4-3-15(21,11-19)10-18-5-7-22-8-6-18/h9,21H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyMVMXLIKIPDOCTE-HNNXBMFYSA-N
XLogP-0.36
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124956840
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 127248040
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 124944302
(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 125001962
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007709
1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125017033
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone;hydrochloride
CID 120806262
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 132770902
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110098043
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 124943762
(4-ethylthiadiazol-5-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124948128
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 125004519

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 124982202) is (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CC[C@](O)(CN2CCOCC2)C1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MVMXLIKIPDOCTE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-12-13(9-17(2)16-12)14(20)19-4-3-15(21,11-19)10-18-5-7-22-8-6-18/h9,21H,3-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124982202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).