[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

C16H22N6O — CID 53192460

IUPAC[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)n1
InChIInChI=1S/C16H22N6O/c1-2-22-10-7-13(20-22)16(23)21-8-5-12(6-9-21)15-17-14(18-19-15)11-3-4-11/h7,10-12H,2-6,8-9H2,1H3,(H,17,18,19)
InChIKeyQGLKMBULCXSYOT-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.92
Rot. Bonds4

About [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone

[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (PubChem CID 53192460) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
PubChem CID53192460
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)n1
InChIInChI=1S/C16H22N6O/c1-2-22-10-7-13(20-22)16(23)21-8-5-12(6-9-21)15-17-14(18-19-15)11-3-4-11/h7,10-12H,2-6,8-9H2,1H3,(H,17,18,19)
InChIKeyQGLKMBULCXSYOT-UHFFFAOYSA-N
XLogP1.92
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone (CID 53192460) is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)n1.
What is the InChIKey of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is QGLKMBULCXSYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-22-10-7-13(20-22)16(23)21-8-5-12(6-9-21)15-17-14(18-19-15)11-3-4-11/h7,10-12H,2-6,8-9H2,1H3,(H,17,18,19).
What are the key properties of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone?
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 53192460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).