4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine

C17H28N6 — CID 97113534

IUPAC4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine
SMILESCc1cc(C[C@H](C)n2cc(C3CCN(C(C)C)CC3)nn2)n[nH]1
InChIInChI=1S/C17H28N6/c1-12(2)22-7-5-15(6-8-22)17-11-23(21-20-17)14(4)10-16-9-13(3)18-19-16/h9,11-12,14-15H,5-8,10H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyUJEVVSCJDUXMGG-AWEZNQCLSA-N
MW316.45 g/mol
LogP2.70
Rot. Bonds5

About 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine

4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine (PubChem CID 97113534) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine
PubChem CID97113534
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine
SMILESCc1cc(C[C@H](C)n2cc(C3CCN(C(C)C)CC3)nn2)n[nH]1
InChIInChI=1S/C17H28N6/c1-12(2)22-7-5-15(6-8-22)17-11-23(21-20-17)14(4)10-16-9-13(3)18-19-16/h9,11-12,14-15H,5-8,10H2,1-4H3,(H,18,19)/t14-/m0/s1
InChIKeyUJEVVSCJDUXMGG-AWEZNQCLSA-N
XLogP2.70
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[2-[3-[2-[4,7-di(propan-2-yl)-1,4,7-triazonan-1-yl]ethyl]-1H-pyrazol-5-yl]ethyl]-4,7-di(propan-2-yl)-1,4,7-triazonane
CID 101205585

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine (CID 97113534) is 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine is Cc1cc(C[C@H](C)n2cc(C3CCN(C(C)C)CC3)nn2)n[nH]1.
What is the InChIKey of 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine?
The InChIKey is UJEVVSCJDUXMGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N6/c1-12(2)22-7-5-15(6-8-22)17-11-23(21-20-17)14(4)10-16-9-13(3)18-19-16/h9,11-12,14-15H,5-8,10H2,1-4H3,(H,18,19)/t14-/m0/s1.
What are the key properties of 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine?
4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine has a molecular weight of 316.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazol-4-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 97113534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).