1-methyl-3-(1H-pyrazol-4-yl)piperidine

C9H15N3 — CID 83404471

IUPAC1-methyl-3-(1H-pyrazol-4-yl)piperidine
SMILESCN1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C9H15N3/c1-12-4-2-3-8(7-12)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeyFDWYLFGEWUGJFI-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.22
Rot. Bonds1

About 1-methyl-3-(1H-pyrazol-4-yl)piperidine

1-methyl-3-(1H-pyrazol-4-yl)piperidine (PubChem CID 83404471) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrazol-4-yl)piperidine
PubChem CID83404471
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-methyl-3-(1H-pyrazol-4-yl)piperidine
SMILESCN1CCCC(c2cn[nH]c2)C1
InChIInChI=1S/C9H15N3/c1-12-4-2-3-8(7-12)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11)
InChIKeyFDWYLFGEWUGJFI-UHFFFAOYSA-N
XLogP1.22
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 1-methyl-3-(1H-pyrazol-4-yl)piperidine (CID 83404471) is 1-methyl-3-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 1-methyl-3-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 1-methyl-3-(1H-pyrazol-4-yl)piperidine is CN1CCCC(c2cn[nH]c2)C1.
What is the InChIKey of 1-methyl-3-(1H-pyrazol-4-yl)piperidine?
The InChIKey is FDWYLFGEWUGJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-4-2-3-8(7-12)9-5-10-11-6-9/h5-6,8H,2-4,7H2,1H3,(H,10,11).
What are the key properties of 1-methyl-3-(1H-pyrazol-4-yl)piperidine?
1-methyl-3-(1H-pyrazol-4-yl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 83404471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).