1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine

C19H24N6 — CID 53192306

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCCn1cc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cn1
InChIInChI=1S/C19H24N6/c1-2-25-14-15(12-20-25)13-24-10-8-17(9-11-24)19-21-18(22-23-19)16-6-4-3-5-7-16/h3-7,12,14,17H,2,8-11,13H2,1H3,(H,21,22,23)
InChIKeyACZBKSSAOVUQLR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.07
Rot. Bonds5

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine

1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 53192306) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID53192306
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCCn1cc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cn1
InChIInChI=1S/C19H24N6/c1-2-25-14-15(12-20-25)13-24-10-8-17(9-11-24)19-21-18(22-23-19)16-6-4-3-5-7-16/h3-7,12,14,17H,2,8-11,13H2,1H3,(H,21,22,23)
InChIKeyACZBKSSAOVUQLR-UHFFFAOYSA-N
XLogP3.07
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (CID 53192306) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is CCn1cc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is ACZBKSSAOVUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-25-14-15(12-20-25)13-24-10-8-17(9-11-24)19-21-18(22-23-19)16-6-4-3-5-7-16/h3-7,12,14,17H,2,8-11,13H2,1H3,(H,21,22,23).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 336.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 53192306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).