4-(1-methylpyrazol-4-yl)piperidine

C9H15N3 — CID 50988986

IUPAC4-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCNCC2)cn1
InChIInChI=1S/C9H15N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h6-8,10H,2-5H2,1H3
InChIKeyIUDLSNKWDQBFQL-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.89
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)piperidine

4-(1-methylpyrazol-4-yl)piperidine (PubChem CID 50988986) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)piperidine
PubChem CID50988986
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(1-methylpyrazol-4-yl)piperidine
SMILESCn1cc(C2CCNCC2)cn1
InChIInChI=1S/C9H15N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h6-8,10H,2-5H2,1H3
InChIKeyIUDLSNKWDQBFQL-UHFFFAOYSA-N
XLogP0.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)piperidine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)piperidine (CID 50988986) is 4-(1-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)piperidine is Cn1cc(C2CCNCC2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)piperidine?
The InChIKey is IUDLSNKWDQBFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-7-9(6-11-12)8-2-4-10-5-3-8/h6-8,10H,2-5H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)piperidine?
4-(1-methylpyrazol-4-yl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 50988986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).