2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine

C10H16BrN3 — CID 114662235

IUPAC2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
SMILESCn1ncc(Br)c1CC1CCCCN1
InChIInChI=1S/C10H16BrN3/c1-14-10(9(11)7-13-14)6-8-4-2-3-5-12-8/h7-8,12H,2-6H2,1H3
InChIKeyXZVNSOHFFLWYTK-UHFFFAOYSA-N
MW258.16 g/mol
LogP1.87
Rot. Bonds2

About 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine

2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine (PubChem CID 114662235) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
PubChem CID114662235
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
SMILESCn1ncc(Br)c1CC1CCCCN1
InChIInChI=1S/C10H16BrN3/c1-14-10(9(11)7-13-14)6-8-4-2-3-5-12-8/h7-8,12H,2-6H2,1H3
InChIKeyXZVNSOHFFLWYTK-UHFFFAOYSA-N
XLogP1.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
CID 115031695
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
2-[[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidine
CID 115053619
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
CID 115053737
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine
CID 114662324
2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-piperidin-2-ylpropan-1-one
CID 114668909
1-methyl-6-[3-(piperidin-2-ylmethyl)phenyl]indazole
CID 166362211
3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
CID 115009220
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine?
The IUPAC name of 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine (CID 114662235) is 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine?
The canonical SMILES for 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine is Cn1ncc(Br)c1CC1CCCCN1.
What is the InChIKey of 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine?
The InChIKey is XZVNSOHFFLWYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-14-10(9(11)7-13-14)6-8-4-2-3-5-12-8/h7-8,12H,2-6H2,1H3.
What are the key properties of 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine?
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine has a molecular weight of 258.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 114662235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).