1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone

C15H23N5O3 — CID 110108567

IUPAC1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2O)CC1
InChIInChI=1S/C15H23N5O3/c1-11(21)18-5-7-19(8-6-18)13-9-20(10-14(13)22)15(23)12-3-4-17(2)16-12/h3-4,13-14,22H,5-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyUAUOETGTDDTGMZ-ZIAGYGMSSA-N
MW321.38 g/mol
LogP-1.23
Rot. Bonds2

About 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone

1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone (PubChem CID 110108567) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
PubChem CID110108567
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2O)CC1
InChIInChI=1S/C15H23N5O3/c1-11(21)18-5-7-19(8-6-18)13-9-20(10-14(13)22)15(23)12-3-4-17(2)16-12/h3-4,13-14,22H,5-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyUAUOETGTDDTGMZ-ZIAGYGMSSA-N
XLogP-1.23
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110108608
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylpyrazol-3-yl)methanone
CID 124813293
1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110108555
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone (CID 110108567) is 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@H]2O)CC1.
What is the InChIKey of 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is UAUOETGTDDTGMZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-11(21)18-5-7-19(8-6-18)13-9-20(10-14(13)22)15(23)12-3-4-17(2)16-12/h3-4,13-14,22H,5-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone?
1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 321.38 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110108567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).