5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine

C20H21BrN6 — CID 157420174

IUPAC5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine
SMILESCc1ccc(-c2ccn(C)n2)cn1.Cc1ccc(-c2nn(C)cc2Br)cn1
InChIInChI=1S/C10H10BrN3.C10H11N3/c1-7-3-4-8(5-12-7)10-9(11)6-14(2)13-10;1-8-3-4-9(7-11-8)10-5-6-13(2)12-10/h3-6H,1-2H3;3-7H,1-2H3
InChIKeyBPHURWVYQVCVIF-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.34
Rot. Bonds2

About 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine

5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine (PubChem CID 157420174) has the molecular formula C20H21BrN6 and a molecular weight of 425.33 g/mol. Its IUPAC name is 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine
PubChem CID157420174
Molecular FormulaC20H21BrN6
Molecular Weight425.33 g/mol
Exact Mass424.10
IUPAC Name5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine
SMILESCc1ccc(-c2ccn(C)n2)cn1.Cc1ccc(-c2nn(C)cc2Br)cn1
InChIInChI=1S/C10H10BrN3.C10H11N3/c1-7-3-4-8(5-12-7)10-9(11)6-14(2)13-10;1-8-3-4-9(7-11-8)10-5-6-13(2)12-10/h3-6H,1-2H3;3-7H,1-2H3
InChIKeyBPHURWVYQVCVIF-UHFFFAOYSA-N
XLogP4.34
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
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US9790203, Example 2
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CID 54587569
2-(1-Methyl-1H-pyrazol-4-yl)-4-[3-(2-pyridinyl)-1H-pyrazol-4-yl]pyridine
CID 56666809
4-(1-Ethyl-5-pyridazin-3-ylpyrazol-3-yl)isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine?
The IUPAC name of 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine (CID 157420174) is 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine is Cc1ccc(-c2ccn(C)n2)cn1.Cc1ccc(-c2nn(C)cc2Br)cn1.
What is the InChIKey of 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine?
The InChIKey is BPHURWVYQVCVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3.C10H11N3/c1-7-3-4-8(5-12-7)10-9(11)6-14(2)13-10;1-8-3-4-9(7-11-8)10-5-6-13(2)12-10/h3-6H,1-2H3;3-7H,1-2H3.
What are the key properties of 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine?
5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine has a molecular weight of 425.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine;2-methyl-5-(1-methylpyrazol-3-yl)pyridine is sourced from PubChem (CID 157420174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).