[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C17H26N6O2 — CID 128980494

IUPAC[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(O)(c3cn(C(C)C)nn3)C2)n[nH]1
InChIInChI=1S/C17H26N6O2/c1-11(2)13-8-14(19-18-13)16(24)22-7-5-6-17(25,10-22)15-9-23(12(3)4)21-20-15/h8-9,11-12,25H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyRZLVDDYUECRCDM-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.83
Rot. Bonds4

About [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 128980494) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID128980494
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCC(O)(c3cn(C(C)C)nn3)C2)n[nH]1
InChIInChI=1S/C17H26N6O2/c1-11(2)13-8-14(19-18-13)16(24)22-7-5-6-17(25,10-22)15-9-23(12(3)4)21-20-15/h8-9,11-12,25H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyRZLVDDYUECRCDM-UHFFFAOYSA-N
XLogP1.83
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 128980494) is [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCCC(O)(c3cn(C(C)C)nn3)C2)n[nH]1.
What is the InChIKey of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is RZLVDDYUECRCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(2)13-8-14(19-18-13)16(24)22-7-5-6-17(25,10-22)15-9-23(12(3)4)21-20-15/h8-9,11-12,25H,5-7,10H2,1-4H3,(H,18,19).
What are the key properties of [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 346.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 128980494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).