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

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

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Related Compounds

1-(3-Pyrazol-1-ylpiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 53551260
(5-ethyl-1H-pyrazol-4-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53564631
(5-ethyl-1H-pyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53571089
(5-methyl-1H-pyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62867413
N-[(5-isobutyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 70721099
2-(1-methylpyrazol-4-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926885
5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926929
[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-ethyl-1H-pyrazol-4-yl)methanone
CID 72142628
1H-pyrazol-5-yl-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 72143551
3-(4-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 72148217
2-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 72148301
1-{2-[3-(1H-Pyrazol-3-YL)piperidin-1-YL]ethyl}pyrrolidin-2-one
CID 72153927

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).