4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine

C16H16BrN3S — CID 67260951

IUPAC4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine
SMILESCC(C)Cn1cc(-c2ccncc2)c(-c2ccc(Br)s2)n1
InChIInChI=1S/C16H16BrN3S/c1-11(2)9-20-10-13(12-5-7-18-8-6-12)16(19-20)14-3-4-15(17)21-14/h3-8,10-11H,9H2,1-2H3
InChIKeyBIZYRANEKQJAAA-UHFFFAOYSA-N
MW362.30 g/mol
LogP5.09
Rot. Bonds4

About 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine

4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine (PubChem CID 67260951) has the molecular formula C16H16BrN3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine
PubChem CID67260951
Molecular FormulaC16H16BrN3S
Molecular Weight362.30 g/mol
Exact Mass361.02
IUPAC Name4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine
SMILESCC(C)Cn1cc(-c2ccncc2)c(-c2ccc(Br)s2)n1
InChIInChI=1S/C16H16BrN3S/c1-11(2)9-20-10-13(12-5-7-18-8-6-12)16(19-20)14-3-4-15(17)21-14/h3-8,10-11H,9H2,1-2H3
InChIKeyBIZYRANEKQJAAA-UHFFFAOYSA-N
XLogP5.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-4-ylpiperazine
CID 16190348
2-Phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145985931
4-Methyl-2-phenyl-6-thiophen-3-ylpyrazolo[4,3-c]pyridine
CID 145986186
5-(1-Methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine
CID 171934755
3-(5-bromo-2-thienyl)-1-phenyl-4-[3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl]pyrazole
CID 3008765
3-(5-Bromo-2-thienyl)-4-[2-nitroso-5-(p-tolyl)-3,4-dihydropyrazol-3-yl]-1-phenyl-pyrazole
CID 3008767
3-(5-Bromo-2-thienyl)-1-phenyl-4-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]pyrazole
CID 3008772
4-[2,5-Bis(p-tolyl)pyrazol-3-yl]-3-(5-bromo-2-thienyl)-1-phenyl-pyrazole
CID 3008773
N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine
CID 25806234
1-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)-N-(3-thienylmethyl)methanamine
CID 46982724
N-methyl-1-(3-methylthiophen-2-yl)-N-[(5-pyridin-3-ylpyrazol-1-yl)methyl]methanamine
CID 56822816

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine (CID 67260951) is 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine is CC(C)Cn1cc(-c2ccncc2)c(-c2ccc(Br)s2)n1.
What is the InChIKey of 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine?
The InChIKey is BIZYRANEKQJAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3S/c1-11(2)9-20-10-13(12-5-7-18-8-6-12)16(19-20)14-3-4-15(17)21-14/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine?
4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine has a molecular weight of 362.30 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromothiophen-2-yl)-1-(2-methylpropyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67260951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).