3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine

C10H16BrN3 — CID 116856706

IUPAC3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine
SMILESCc1[nH]nc(C2CCCN(C)C2)c1Br
InChIInChI=1S/C10H16BrN3/c1-7-9(11)10(13-12-7)8-4-3-5-14(2)6-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyFQPFEQXXYDJLBI-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.29
Rot. Bonds1

About 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine

3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine (PubChem CID 116856706) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine.

Molecular Properties

Compound Name3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine
PubChem CID116856706
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine
SMILESCc1[nH]nc(C2CCCN(C)C2)c1Br
InChIInChI=1S/C10H16BrN3/c1-7-9(11)10(13-12-7)8-4-3-5-14(2)6-8/h8H,3-6H2,1-2H3,(H,12,13)
InChIKeyFQPFEQXXYDJLBI-UHFFFAOYSA-N
XLogP2.29
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(3R)-1-methylpiperidin-3-yl]-6-(5-methyl-1H-pyrazol-3-yl)pyrimidine
CID 124942782
2-bromo-4-(1-methylpiperidin-3-yl)-1,3-oxazole
CID 115045488
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
1-methyl-3-(1-methylpiperidin-3-yl)pyrazol-4-amine
CID 116827052
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369
5-methyl-4-[(3R)-1-methylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 177161274
3-(4-bromophenyl)-1-methylpiperidine
CID 58367593
N,N-dimethyl-6-[(3S)-1-methylpiperidin-3-yl]pyrazin-2-amine
CID 95841163
6-(1-methylpiperidin-3-yl)pyridazine-3,4-diamine
CID 117105593
2-[(3S)-1-methylpiperidin-3-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 124641610
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
5-methyl-4-(1-methylpiperidin-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867320

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine?
The IUPAC name of 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine (CID 116856706) is 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine.
What is the SMILES notation for 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine?
The canonical SMILES for 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine is Cc1[nH]nc(C2CCCN(C)C2)c1Br.
What is the InChIKey of 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine?
The InChIKey is FQPFEQXXYDJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-7-9(11)10(13-12-7)8-4-3-5-14(2)6-8/h8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine?
3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine has a molecular weight of 258.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methyl-1H-pyrazol-3-yl)-1-methylpiperidine is sourced from PubChem (CID 116856706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).