3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C15H21N5O — CID 110259223

IUPAC3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H21N5O/c1-12-4-8-17-20(12)10-6-15(21)19-9-2-3-13(11-19)14-5-7-16-18-14/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,16,18)
InChIKeyGGRGHTAESPKXDA-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.71
Rot. Bonds4

About 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 110259223) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID110259223
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1ccnn1CCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H21N5O/c1-12-4-8-17-20(12)10-6-15(21)19-9-2-3-13(11-19)14-5-7-16-18-14/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,16,18)
InChIKeyGGRGHTAESPKXDA-UHFFFAOYSA-N
XLogP1.71
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
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CID 95788736
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(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 110259223) is 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is Cc1ccnn1CCC(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GGRGHTAESPKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-4-8-17-20(12)10-6-15(21)19-9-2-3-13(11-19)14-5-7-16-18-14/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,16,18).
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 287.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110259223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).