1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C17H25N5O — CID 164634670

IUPAC1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)N2CCC[C@H](c3ccnn3C)C2)n1
InChIInChI=1S/C17H25N5O/c1-13(2)22-10-7-15(19-22)11-17(23)21-9-4-5-14(12-21)16-6-8-18-20(16)3/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3/t14-/m0/s1
InChIKeyDMTISVUMEZMVKZ-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.15
Rot. Bonds4

About 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 164634670) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID164634670
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)N2CCC[C@H](c3ccnn3C)C2)n1
InChIInChI=1S/C17H25N5O/c1-13(2)22-10-7-15(19-22)11-17(23)21-9-4-5-14(12-21)16-6-8-18-20(16)3/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3/t14-/m0/s1
InChIKeyDMTISVUMEZMVKZ-AWEZNQCLSA-N
XLogP2.15
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 164634670) is 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1ccc(CC(=O)N2CCC[C@H](c3ccnn3C)C2)n1.
What is the InChIKey of 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is DMTISVUMEZMVKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)22-10-7-15(19-22)11-17(23)21-9-4-5-14(12-21)16-6-8-18-20(16)3/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 315.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 164634670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).