1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone

C15H25N3O — CID 159297016

IUPAC1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
SMILESCc1cc(C(=O)C[C@@H]2CCCN(C(C)C)C2)nn1C
InChIInChI=1S/C15H25N3O/c1-11(2)18-7-5-6-13(10-18)9-15(19)14-8-12(3)17(4)16-14/h8,11,13H,5-7,9-10H2,1-4H3/t13-/m0/s1
InChIKeyLAVUZQFZEDCVFL-ZDUSSCGKSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone

1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone (PubChem CID 159297016) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
PubChem CID159297016
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
SMILESCc1cc(C(=O)C[C@@H]2CCCN(C(C)C)C2)nn1C
InChIInChI=1S/C15H25N3O/c1-11(2)18-7-5-6-13(10-18)9-15(19)14-8-12(3)17(4)16-14/h8,11,13H,5-7,9-10H2,1-4H3/t13-/m0/s1
InChIKeyLAVUZQFZEDCVFL-ZDUSSCGKSA-N
XLogP2.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone (CID 159297016) is 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone is Cc1cc(C(=O)C[C@@H]2CCCN(C(C)C)C2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
The InChIKey is LAVUZQFZEDCVFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18-7-5-6-13(10-18)9-15(19)14-8-12(3)17(4)16-14/h8,11,13H,5-7,9-10H2,1-4H3/t13-/m0/s1.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone?
1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone is sourced from PubChem (CID 159297016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).