4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine

C21H27N5 — CID 56751179

IUPAC4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCCc1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[nH]n1
InChIInChI=1S/C21H27N5/c1-2-19-13-20(24-23-19)15-26-10-8-17(9-11-26)21-18(14-22-25-21)12-16-6-4-3-5-7-16/h3-7,13-14,17H,2,8-12,15H2,1H3,(H,22,25)(H,23,24)
InChIKeyNEFWSDSZINEAFO-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.67
Rot. Bonds6

About 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine

4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine (PubChem CID 56751179) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine
PubChem CID56751179
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCCc1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[nH]n1
InChIInChI=1S/C21H27N5/c1-2-19-13-20(24-23-19)15-26-10-8-17(9-11-26)21-18(14-22-25-21)12-16-6-4-3-5-7-16/h3-7,13-14,17H,2,8-12,15H2,1H3,(H,22,25)(H,23,24)
InChIKeyNEFWSDSZINEAFO-UHFFFAOYSA-N
XLogP3.67
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine?
The IUPAC name of 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine (CID 56751179) is 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine?
The canonical SMILES for 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine is CCc1cc(CN2CCC(c3[nH]ncc3Cc3ccccc3)CC2)[nH]n1.
What is the InChIKey of 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine?
The InChIKey is NEFWSDSZINEAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-2-19-13-20(24-23-19)15-26-10-8-17(9-11-26)21-18(14-22-25-21)12-16-6-4-3-5-7-16/h3-7,13-14,17H,2,8-12,15H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine?
4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine has a molecular weight of 349.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-1H-pyrazol-5-yl)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 56751179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).