benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate

C19H17BrN2O3 — CID 58354198

IUPACbenzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOc1ccc(Br)c2c(C(=O)OCc3ccccc3)c(C3CC3)nn12
InChIInChI=1S/C19H17BrN2O3/c1-24-15-10-9-14(20)18-16(17(13-7-8-13)21-22(15)18)19(23)25-11-12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyIHQRMJBQZSKWIO-UHFFFAOYSA-N
MW401.26 g/mol
LogP4.34
Rot. Bonds5

About benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate

benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 58354198) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID58354198
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Namebenzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOc1ccc(Br)c2c(C(=O)OCc3ccccc3)c(C3CC3)nn12
InChIInChI=1S/C19H17BrN2O3/c1-24-15-10-9-14(20)18-16(17(13-7-8-13)21-22(15)18)19(23)25-11-12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyIHQRMJBQZSKWIO-UHFFFAOYSA-N
XLogP4.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-cyclohexyl-5-methyl-1-phenylpyrazole-4-carboxylate
CID 134951291
benzyl 4-bromo-2,3,5,6-tetrafluorobenzoate
CID 172646645
2-O-benzyl 1-O-ethyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
CID 142686765
1-benzyl-3-cyclopropylpyrazole-4-carboxamide
CID 156875605
benzyl 4-[4-(hydroxymethyl)-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 145464458
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 134370026
benzyl 1-bromoimidazole-4-carboxylate;hydrochloride
CID 174764433
1-O-benzyl 2-O-propan-2-yl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
CID 142686766
benzyl acetate
CID 8785
benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 155904176
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275

Frequently Asked Questions

What is the IUPAC name of benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate (CID 58354198) is benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate is COc1ccc(Br)c2c(C(=O)OCc3ccccc3)c(C3CC3)nn12.
What is the InChIKey of benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is IHQRMJBQZSKWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-24-15-10-9-14(20)18-16(17(13-7-8-13)21-22(15)18)19(23)25-11-12-5-3-2-4-6-12/h2-6,9-10,13H,7-8,11H2,1H3.
What are the key properties of benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate?
benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 401.26 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-bromo-2-cyclopropyl-7-methoxypyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 58354198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).