1-(pyrazol-1-ylmethyl)piperidine

C9H15N3 — CID 13325767

IUPAC1-(pyrazol-1-ylmethyl)piperidine
SMILESc1cnn(CN2CCCCC2)c1
InChIInChI=1S/C9H15N3/c1-2-6-11(7-3-1)9-12-8-4-5-10-12/h4-5,8H,1-3,6-7,9H2
InChIKeyBNTMTWIGKDDQFC-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.33
Rot. Bonds2

About 1-(pyrazol-1-ylmethyl)piperidine

1-(pyrazol-1-ylmethyl)piperidine (PubChem CID 13325767) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(pyrazol-1-ylmethyl)piperidine
PubChem CID13325767
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(pyrazol-1-ylmethyl)piperidine
SMILESc1cnn(CN2CCCCC2)c1
InChIInChI=1S/C9H15N3/c1-2-6-11(7-3-1)9-12-8-4-5-10-12/h4-5,8H,1-3,6-7,9H2
InChIKeyBNTMTWIGKDDQFC-UHFFFAOYSA-N
XLogP1.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(pyrazol-1-ylmethyl)piperidine (CID 13325767) is 1-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(pyrazol-1-ylmethyl)piperidine is c1cnn(CN2CCCCC2)c1.
What is the InChIKey of 1-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is BNTMTWIGKDDQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-6-11(7-3-1)9-12-8-4-5-10-12/h4-5,8H,1-3,6-7,9H2.
What are the key properties of 1-(pyrazol-1-ylmethyl)piperidine?
1-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 13325767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).