5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine

C14H12BrN3 — CID 143347890

IUPAC5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine
SMILESCCn1nc(-c2ccccc2)c2cc(Br)cnc21
InChIInChI=1S/C14H12BrN3/c1-2-18-14-12(8-11(15)9-16-14)13(17-18)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeySRLWXZXASLTTSE-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine

5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine (PubChem CID 143347890) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine
PubChem CID143347890
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine
SMILESCCn1nc(-c2ccccc2)c2cc(Br)cnc21
InChIInChI=1S/C14H12BrN3/c1-2-18-14-12(8-11(15)9-16-14)13(17-18)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeySRLWXZXASLTTSE-UHFFFAOYSA-N
XLogP3.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
CID 83913838
[1-(2-hydroxyethyl)-3-phenylpyrazolo[5,4-b]pyridin-5-yl]-(2-hydroxyphenyl)methanone
CID 2451940
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
1-ethyl-3,5-diphenylpyrazole
CID 12665793
5-bromo-3-(4-cyclopropylsulfonylphenyl)-1-methylpyrazolo[5,4-b]pyridine
CID 166137832
8-bromo-1,3-diphenylpyrazolo[4,3-c]quinoline
CID 20852418
1-(5-bromo-3-phenylindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 21494258
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
1-ethyl-3-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 121214529
5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 22477574
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151
5-bromo-3-[4-(3-methyl-2-pyridinyl)phenyl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 170545992

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine (CID 143347890) is 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine is CCn1nc(-c2ccccc2)c2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is SRLWXZXASLTTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-2-18-14-12(8-11(15)9-16-14)13(17-18)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine?
5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 302.18 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 143347890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).