3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C15H18BrN3O2 — CID 110535708

IUPAC3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2n[nH]c3c2CN(C)CC3)c(Br)c1OC
InChIInChI=1S/C15H18BrN3O2/c1-19-7-6-11-10(8-19)14(18-17-11)9-4-5-12(20-2)15(21-3)13(9)16/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKeyNYUNCWQNYILPCQ-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.84
Rot. Bonds3

About 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110535708) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110535708
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2n[nH]c3c2CN(C)CC3)c(Br)c1OC
InChIInChI=1S/C15H18BrN3O2/c1-19-7-6-11-10(8-19)14(18-17-11)9-4-5-12(20-2)15(21-3)13(9)16/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKeyNYUNCWQNYILPCQ-UHFFFAOYSA-N
XLogP2.84
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110535708) is 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is COc1ccc(-c2n[nH]c3c2CN(C)CC3)c(Br)c1OC.
What is the InChIKey of 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is NYUNCWQNYILPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-19-7-6-11-10(8-19)14(18-17-11)9-4-5-12(20-2)15(21-3)13(9)16/h4-5H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 352.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3,4-dimethoxyphenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110535708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).