ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

C10H13BrN2O2 — CID 68793305

IUPACethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nn2c(c1Br)CCCC2
InChIInChI=1S/C10H13BrN2O2/c1-2-15-10(14)9-8(11)7-5-3-4-6-13(7)12-9/h2-6H2,1H3
InChIKeyMTVZOOALWKTCCC-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.16
Rot. Bonds2

About ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 68793305) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID68793305
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Nameethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nn2c(c1Br)CCCC2
InChIInChI=1S/C10H13BrN2O2/c1-2-15-10(14)9-8(11)7-5-3-4-6-13(7)12-9/h2-6H2,1H3
InChIKeyMTVZOOALWKTCCC-UHFFFAOYSA-N
XLogP2.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 178121867
5-O-[[3,5-bis(trifluoromethyl)phenyl]methyl] 2-O-ethyl 3-bromo-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxylate
CID 86345672
ethyl 5-amino-4-bromo-1-cyclopentylpyrazole-3-carboxylate
CID 112707157
diethyl 1-(2-aminoethyl)-4-bromopyrazole-3,5-dicarboxylate
CID 167201572
3-bromo-N-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 171133055
ethyl 1-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
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ethyl 4-bromo-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-5-carboxylate
CID 162639234
ethyl 4-bromo-5-ethoxy-1-methylpyrazole-3-carboxylate
CID 164538576
2-bromo-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 83821484
ethyl 4-bromo-5-methyl-1-(oxan-2-yl)pyrazole-3-carboxylate
CID 135343158
methyl 2-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (CID 68793305) is ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate is CCOC(=O)c1nn2c(c1Br)CCCC2.
What is the InChIKey of ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is MTVZOOALWKTCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-15-10(14)9-8(11)7-5-3-4-6-13(7)12-9/h2-6H2,1H3.
What are the key properties of ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 273.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 68793305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).