4-(5-methyl-1H-pyrazol-4-yl)piperidine

C9H15N3 — CID 82414450

IUPAC4-(5-methyl-1H-pyrazol-4-yl)piperidine
SMILESCc1[nH]ncc1C1CCNCC1
InChIInChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)
InChIKeyRUDBDQGQYSXYGD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.19
Rot. Bonds1

About 4-(5-methyl-1H-pyrazol-4-yl)piperidine

4-(5-methyl-1H-pyrazol-4-yl)piperidine (PubChem CID 82414450) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-4-yl)piperidine
PubChem CID82414450
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(5-methyl-1H-pyrazol-4-yl)piperidine
SMILESCc1[nH]ncc1C1CCNCC1
InChIInChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12)
InChIKeyRUDBDQGQYSXYGD-UHFFFAOYSA-N
XLogP1.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)piperidine?
The IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)piperidine (CID 82414450) is 4-(5-methyl-1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-4-yl)piperidine is Cc1[nH]ncc1C1CCNCC1.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-4-yl)piperidine?
The InChIKey is RUDBDQGQYSXYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-9(6-11-12-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-(5-methyl-1H-pyrazol-4-yl)piperidine?
4-(5-methyl-1H-pyrazol-4-yl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 82414450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).