4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine

C13H16BrN3S — CID 84607120

IUPAC4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine
SMILESCn1nc(C2CCNCC2)cc1-c1ccc(Br)s1
InChIInChI=1S/C13H16BrN3S/c1-17-11(12-2-3-13(14)18-12)8-10(16-17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3
InChIKeyOBBQBLMVCAVIBX-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.38
Rot. Bonds2

About 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine

4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine (PubChem CID 84607120) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine
PubChem CID84607120
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine
SMILESCn1nc(C2CCNCC2)cc1-c1ccc(Br)s1
InChIInChI=1S/C13H16BrN3S/c1-17-11(12-2-3-13(14)18-12)8-10(16-17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3
InChIKeyOBBQBLMVCAVIBX-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 1-methyl-3-piperidin-4-ylpyrazole-5-carboxylate
CID 125458178
1-methyl-5-piperidin-4-ylpyrazol-3-amine
CID 83409077
4-(5-bromothiophen-2-yl)-6-methyl-2-piperidin-3-ylpyrimidine
CID 116893430
4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 116894826
6-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine
CID 167857979
4-bromo-2-piperidin-4-ylpyridine
CID 76848192
4-[4-(4-bromothiophen-2-yl)-1-methylpyrazol-5-yl]piperidine
CID 84607127
N,4-dimethyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]benzenesulfonamide
CID 92624493
6-piperidin-4-ylpyridazin-3-amine
CID 117105175
N-(3-cyclohexyl-1-methylpyrazol-5-yl)piperidine-4-carboxamide
CID 119337707
5-(3-cyclopropyl-1-methylpyrazol-5-yl)-1,3-diethyl-1,2,4-triazole
CID 154818634
2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63354503

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine?
The IUPAC name of 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine (CID 84607120) is 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine?
The canonical SMILES for 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine is Cn1nc(C2CCNCC2)cc1-c1ccc(Br)s1.
What is the InChIKey of 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine?
The InChIKey is OBBQBLMVCAVIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-17-11(12-2-3-13(14)18-12)8-10(16-17)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine?
4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine has a molecular weight of 326.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromothiophen-2-yl)-1-methylpyrazol-3-yl]piperidine is sourced from PubChem (CID 84607120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).