3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C16H23N5O — CID 110270922

IUPAC3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1C1CCCCN1C(=O)CCn1nccc1C
InChIInChI=1S/C16H23N5O/c1-12-11-17-19-16(12)14-5-3-4-9-20(14)15(22)7-10-21-13(2)6-8-18-21/h6,8,11,14H,3-5,7,9-10H2,1-2H3,(H,17,19)
InChIKeyRYSDLSQGDAZTEW-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.37
Rot. Bonds4

About 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 110270922) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID110270922
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCc1cn[nH]c1C1CCCCN1C(=O)CCn1nccc1C
InChIInChI=1S/C16H23N5O/c1-12-11-17-19-16(12)14-5-3-4-9-20(14)15(22)7-10-21-13(2)6-8-18-21/h6,8,11,14H,3-5,7,9-10H2,1-2H3,(H,17,19)
InChIKeyRYSDLSQGDAZTEW-UHFFFAOYSA-N
XLogP2.37
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 110270922) is 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is Cc1cn[nH]c1C1CCCCN1C(=O)CCn1nccc1C.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is RYSDLSQGDAZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-11-17-19-16(12)14-5-3-4-9-20(14)15(22)7-10-21-13(2)6-8-18-21/h6,8,11,14H,3-5,7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-(5-methylpyrazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.37, 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-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110270922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).