1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone

C18H24N6O2 — CID 31126016

IUPAC1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)[nH]n1
InChIInChI=1S/C18H24N6O2/c1-12(25)15-10-16(20-19-15)18(26)23-8-6-14(7-9-23)24-11-17(21-22-24)13-4-2-3-5-13/h10-11,13-14H,2-9H2,1H3,(H,19,20)
InChIKeyVYKJREOQOTWJAJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.34
Rot. Bonds4

About 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone

1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone (PubChem CID 31126016) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
PubChem CID31126016
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)[nH]n1
InChIInChI=1S/C18H24N6O2/c1-12(25)15-10-16(20-19-15)18(26)23-8-6-14(7-9-23)24-11-17(21-22-24)13-4-2-3-5-13/h10-11,13-14H,2-9H2,1H3,(H,19,20)
InChIKeyVYKJREOQOTWJAJ-UHFFFAOYSA-N
XLogP2.34
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10022354, Example 59
CID 121279710
US10022354, Example 58
CID 132070185
US10022354, Example 165
CID 121279436
US10022354, Example 113
CID 121279595
US10022354, Example 238
CID 121279601
US10022354, Example 235
CID 121279628
US10022354, Example 112
CID 132070192
US10022354, Example 233
CID 121279654
US10022354, Example 37
CID 121279685
US10022354, Example 162
CID 132070202
US10022354, Example 199
CID 132070221
5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926929

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone (CID 31126016) is 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone is CC(=O)c1cc(C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)[nH]n1.
What is the InChIKey of 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone?
The InChIKey is VYKJREOQOTWJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12(25)15-10-16(20-19-15)18(26)23-8-6-14(7-9-23)24-11-17(21-22-24)13-4-2-3-5-13/h10-11,13-14H,2-9H2,1H3,(H,19,20).
What are the key properties of 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone?
1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone has a molecular weight of 356.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone is sourced from PubChem (CID 31126016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).