butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate

C19H19BrN2O2 — CID 70114615

IUPACbutan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate
SMILESCCC(C)OC(=O)c1cccn2ncc(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C19H19BrN2O2/c1-3-13(2)24-19(23)17-5-4-10-22-18(17)15(12-21-22)11-14-6-8-16(20)9-7-14/h4-10,12-13H,3,11H2,1-2H3
InChIKeyOZRQVXZNVNHJRR-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.64
Rot. Bonds5

About butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate

butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate (PubChem CID 70114615) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate
PubChem CID70114615
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Namebutan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate
SMILESCCC(C)OC(=O)c1cccn2ncc(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C19H19BrN2O2/c1-3-13(2)24-19(23)17-5-4-10-22-18(17)15(12-21-22)11-14-6-8-16(20)9-7-14/h4-10,12-13H,3,11H2,1-2H3
InChIKeyOZRQVXZNVNHJRR-UHFFFAOYSA-N
XLogP4.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate?
The IUPAC name of butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate (CID 70114615) is butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate.
What is the SMILES notation for butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate?
The canonical SMILES for butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate is CCC(C)OC(=O)c1cccn2ncc(Cc3ccc(Br)cc3)c12.
What is the InChIKey of butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate?
The InChIKey is OZRQVXZNVNHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-3-13(2)24-19(23)17-5-4-10-22-18(17)15(12-21-22)11-14-6-8-16(20)9-7-14/h4-10,12-13H,3,11H2,1-2H3.
What are the key properties of butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate?
butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate has a molecular weight of 387.28 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 3-[(4-bromophenyl)methyl]pyrazolo[1,5-a]pyridine-4-carboxylate is sourced from PubChem (CID 70114615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).