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

C20H25N5 — CID 56700985

IUPAC4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
SMILESCc1cc(CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)n[nH]1
InChIInChI=1S/C20H25N5/c1-15-11-19(23-21-15)14-25-9-7-17(8-10-25)20-13-18(22-24-20)12-16-5-3-2-4-6-16/h2-6,11,13,17H,7-10,12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyNGIVPQQVGMLSMI-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.41
Rot. Bonds5

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

4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine (PubChem CID 56700985) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
PubChem CID56700985
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC Name4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine
SMILESCc1cc(CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)n[nH]1
InChIInChI=1S/C20H25N5/c1-15-11-19(23-21-15)14-25-9-7-17(8-10-25)20-13-18(22-24-20)12-16-5-3-2-4-6-16/h2-6,11,13,17H,7-10,12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyNGIVPQQVGMLSMI-UHFFFAOYSA-N
XLogP3.41
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine (CID 56700985) is 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine is Cc1cc(CN2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)n[nH]1.
What is the InChIKey of 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
The InChIKey is NGIVPQQVGMLSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-11-19(23-21-15)14-25-9-7-17(8-10-25)20-13-18(22-24-20)12-16-5-3-2-4-6-16/h2-6,11,13,17H,7-10,12,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine?
4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine has a molecular weight of 335.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-1H-pyrazol-3-yl)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 56700985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).