ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate

C13H11BrN4O2 — CID 154690875

IUPACethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccn3ncc(Br)c3c2)c1
InChIInChI=1S/C13H11BrN4O2/c1-2-20-13(19)9-6-15-18(8-9)10-3-4-17-12(5-10)11(14)7-16-17/h3-8H,2H2,1H3
InChIKeyBQPSDKYOFJLNEP-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.46
Rot. Bonds3

About ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate

ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate (PubChem CID 154690875) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate
PubChem CID154690875
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Nameethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccn3ncc(Br)c3c2)c1
InChIInChI=1S/C13H11BrN4O2/c1-2-20-13(19)9-6-15-18(8-9)10-3-4-17-12(5-10)11(14)7-16-17/h3-8H,2H2,1H3
InChIKeyBQPSDKYOFJLNEP-UHFFFAOYSA-N
XLogP2.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate (CID 154690875) is ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccn3ncc(Br)c3c2)c1.
What is the InChIKey of ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate?
The InChIKey is BQPSDKYOFJLNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c1-2-20-13(19)9-6-15-18(8-9)10-3-4-17-12(5-10)11(14)7-16-17/h3-8H,2H2,1H3.
What are the key properties of ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate?
ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate has a molecular weight of 335.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-bromopyrazolo[1,5-a]pyridin-5-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 154690875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).