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

C16H26N6 — CID 53192572

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCc1c(CN2CCC(c3nncn3C(C)C)CC2)cnn1C
InChIInChI=1S/C16H26N6/c1-12(2)22-11-17-19-16(22)14-5-7-21(8-6-14)10-15-9-18-20(4)13(15)3/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyQVIBUCWZXNYOOT-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.28
Rot. Bonds4

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

1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192572) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192572
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCc1c(CN2CCC(c3nncn3C(C)C)CC2)cnn1C
InChIInChI=1S/C16H26N6/c1-12(2)22-11-17-19-16(22)14-5-7-21(8-6-14)10-15-9-18-20(4)13(15)3/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyQVIBUCWZXNYOOT-UHFFFAOYSA-N
XLogP2.28
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 53192572) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is Cc1c(CN2CCC(c3nncn3C(C)C)CC2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is QVIBUCWZXNYOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-12(2)22-11-17-19-16(22)14-5-7-21(8-6-14)10-15-9-18-20(4)13(15)3/h9,11-12,14H,5-8,10H2,1-4H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 302.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).