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

C13H23N3 — CID 13211763

IUPAC1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCCCCc1cc(CN2CCCCC2)[nH]n1
InChIInChI=1S/C13H23N3/c1-2-3-7-12-10-13(15-14-12)11-16-8-5-4-6-9-16/h10H,2-9,11H2,1H3,(H,14,15)
InChIKeyZHTGLWGMZXMZRN-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds5

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

1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine (PubChem CID 13211763) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine
PubChem CID13211763
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine
SMILESCCCCc1cc(CN2CCCCC2)[nH]n1
InChIInChI=1S/C13H23N3/c1-2-3-7-12-10-13(15-14-12)11-16-8-5-4-6-9-16/h10H,2-9,11H2,1H3,(H,14,15)
InChIKeyZHTGLWGMZXMZRN-UHFFFAOYSA-N
XLogP2.74
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine?
The IUPAC name of 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine (CID 13211763) is 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine?
The canonical SMILES for 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine is CCCCc1cc(CN2CCCCC2)[nH]n1.
What is the InChIKey of 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine?
The InChIKey is ZHTGLWGMZXMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-3-7-12-10-13(15-14-12)11-16-8-5-4-6-9-16/h10H,2-9,11H2,1H3,(H,14,15).
What are the key properties of 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine?
1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 13211763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).