2-(1H-pyrazol-5-ylmethyl)piperidine

C9H15N3 — CID 83845818

IUPAC2-(1H-pyrazol-5-ylmethyl)piperidine
SMILESc1cc(CC2CCCCN2)[nH]n1
InChIInChI=1S/C9H15N3/c1-2-5-10-8(3-1)7-9-4-6-11-12-9/h4,6,8,10H,1-3,5,7H2,(H,11,12)
InChIKeyKTQVAYRNKMBJMY-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.09
Rot. Bonds2

About 2-(1H-pyrazol-5-ylmethyl)piperidine

2-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 83845818) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name2-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID83845818
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(1H-pyrazol-5-ylmethyl)piperidine
SMILESc1cc(CC2CCCCN2)[nH]n1
InChIInChI=1S/C9H15N3/c1-2-5-10-8(3-1)7-9-4-6-11-12-9/h4,6,8,10H,1-3,5,7H2,(H,11,12)
InChIKeyKTQVAYRNKMBJMY-UHFFFAOYSA-N
XLogP1.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
5-(piperidin-2-ylmethyl)-1H-pyrazole-3-carbaldehyde
CID 115092787
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 170352618
7-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116998930
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
2-[1-(1H-pyrazol-5-yl)ethyl]piperidine
CID 173125528
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-(piperidin-2-ylmethyl)aniline
CID 84662844

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of 2-(1H-pyrazol-5-ylmethyl)piperidine (CID 83845818) is 2-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for 2-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for 2-(1H-pyrazol-5-ylmethyl)piperidine is c1cc(CC2CCCCN2)[nH]n1.
What is the InChIKey of 2-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is KTQVAYRNKMBJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-5-10-8(3-1)7-9-4-6-11-12-9/h4,6,8,10H,1-3,5,7H2,(H,11,12).
What are the key properties of 2-(1H-pyrazol-5-ylmethyl)piperidine?
2-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 83845818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).