2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride

C10H16ClN3 — CID 141119293

IUPAC2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride
SMILESCl.Cn1nccc1C=C1CCCCN1
InChIInChI=1S/C10H15N3.ClH/c1-13-10(5-7-12-13)8-9-4-2-3-6-11-9;/h5,7-8,11H,2-4,6H2,1H3;1H
InChIKeyXEOXZIGHQCJOEU-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.96
Rot. Bonds1

About 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride

2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride (PubChem CID 141119293) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride
PubChem CID141119293
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride
SMILESCl.Cn1nccc1C=C1CCCCN1
InChIInChI=1S/C10H15N3.ClH/c1-13-10(5-7-12-13)8-9-4-2-3-6-11-9;/h5,7-8,11H,2-4,6H2,1H3;1H
InChIKeyXEOXZIGHQCJOEU-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Methylpyrazol-3-yl)piperidine;dihydrochloride
CID 92130993
4-(1-methyl-1H-pyrazol-3-yl)piperidine hydrochloride
CID 165595799
(1Z,3E)-5-(2-fluorocyclohexa-2,4-dien-1-yl)-1-(2-methylpyrazol-3-yl)-6-(propylamino)hexa-1,3-diene-1-thiol
CID 126517558
5-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoropropyl)cyclohexa-1,5-dien-1-amine
CID 141350908
3,3-Difluoro-4-(5-methylpyrazol-1-yl)piperidine
CID 164920759
3-(1-Ethylpyrazol-3-yl)-5-(trifluoromethyl)-1,2-dihydropyridine
CID 169848163
4-[5-(Fluoromethyl)pyrazol-1-yl]piperidine
CID 84732534
4-[[5-(Fluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84733476
3-[[5-(Fluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84733477
2-[[5-(Fluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84733478
4-[5-(1-Fluoroethyl)pyrazol-1-yl]piperidine
CID 84733479
3-[5-(1-Fluoroethyl)pyrazol-1-yl]piperidine
CID 84733481

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride (CID 141119293) is 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride is Cl.Cn1nccc1C=C1CCCCN1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride?
The InChIKey is XEOXZIGHQCJOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.ClH/c1-13-10(5-7-12-13)8-9-4-2-3-6-11-9;/h5,7-8,11H,2-4,6H2,1H3;1H.
What are the key properties of 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride?
2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methylidene]piperidine;hydrochloride is sourced from PubChem (CID 141119293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).