3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

C16H24N6O — CID 53192160

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C)n3)C2)n1
InChIInChI=1S/C16H24N6O/c1-11-9-12(2)22(20-11)8-6-15(23)21-7-4-5-14(10-21)16-17-13(3)18-19-16/h9,14H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyWETQHLBFJJRTJJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.72
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 53192160) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID53192160
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C)n3)C2)n1
InChIInChI=1S/C16H24N6O/c1-11-9-12(2)22(20-11)8-6-15(23)21-7-4-5-14(10-21)16-17-13(3)18-19-16/h9,14H,4-8,10H2,1-3H3,(H,17,18,19)
InChIKeyWETQHLBFJJRTJJ-UHFFFAOYSA-N
XLogP1.72
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]acetamide
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1-(4,6-Dimethylpyrimidin-2-YL)-N-(5-isopropyl-1H-1,2,4-triazol-3-YL)piperidine-3-carboxamide
CID 71707579
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1-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(4H-1,2,4-triazol-4-yl)piperidine-3-carboxamide
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1-[2-(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-2-oxoethyl]-3-methyl-1H-pyrazol-5-amine
CID 72848493
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-YL)methyl]piperidin-1-YL}propan-1-one
CID 91909436

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one (CID 53192160) is 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CCCC(c3n[nH]c(C)n3)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is WETQHLBFJJRTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-9-12(2)22(20-11)8-6-15(23)21-7-4-5-14(10-21)16-17-13(3)18-19-16/h9,14H,4-8,10H2,1-3H3,(H,17,18,19).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 316.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53192160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).