3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine

C10H10BrN3 — CID 83728159

IUPAC3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
SMILESCc1c(Br)c(-c2cccnc2)nn1C
InChIInChI=1S/C10H10BrN3/c1-7-9(11)10(13-14(7)2)8-4-3-5-12-6-8/h3-6H,1-2H3
InChIKeySHVVNZVJEGWKEP-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.55
Rot. Bonds1

About 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine

3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine (PubChem CID 83728159) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
PubChem CID83728159
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
SMILESCc1c(Br)c(-c2cccnc2)nn1C
InChIInChI=1S/C10H10BrN3/c1-7-9(11)10(13-14(7)2)8-4-3-5-12-6-8/h3-6H,1-2H3
InChIKeySHVVNZVJEGWKEP-UHFFFAOYSA-N
XLogP2.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine
CID 83665733
3-[4-bromo-1-(2-chloroethyl)-5-methylpyrazol-3-yl]pyridine
CID 121211526
4-bromo-3-(4-chlorophenyl)-1,5-dimethylpyrazole
CID 83746918
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
1-methyl-3-pyridin-3-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4561761
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine
CID 84611350
1-methyl-4-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-amine
CID 80521128
1-pentan-3-yl-3-pyridin-3-ylpyrazol-4-amine
CID 83218420
3-(4-tert-butyl-1-methylpyrazol-3-yl)pyridine
CID 170927469

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine?
The IUPAC name of 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine (CID 83728159) is 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine is Cc1c(Br)c(-c2cccnc2)nn1C.
What is the InChIKey of 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine?
The InChIKey is SHVVNZVJEGWKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-9(11)10(13-14(7)2)8-4-3-5-12-6-8/h3-6H,1-2H3.
What are the key properties of 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine?
3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine has a molecular weight of 252.12 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine is sourced from PubChem (CID 83728159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).