ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate

C12H13N3O3 — CID 59539012

IUPACethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(=O)NC)cccn2n1
InChIInChI=1S/C12H13N3O3/c1-3-18-12(17)9-7-10-8(11(16)13-2)5-4-6-15(10)14-9/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyPWBBHWFASMHCCM-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.87
Rot. Bonds3

About ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate

ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 59539012) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID59539012
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(=O)NC)cccn2n1
InChIInChI=1S/C12H13N3O3/c1-3-18-12(17)9-7-10-8(11(16)13-2)5-4-6-15(10)14-9/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyPWBBHWFASMHCCM-UHFFFAOYSA-N
XLogP0.87
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[4-(1-adamantylmethylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carbonyl]amino]acetate
CID 25096145
ethyl pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 10610124
ethyl 4-[[4-(2-chloro-4-pyridinyl)phenyl]methyl]pyrrolo[1,2-b]pyridazine-2-carboxylate
CID 146552076
ethyl 6-methyl-4-(methylamino)pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 155346646
ethyl tetrazolo[1,5-a]pyridine-8-carboxylate
CID 102030693
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-fluoro-1-methylpyrazole-3-carboxylate
CID 155722987
ethyl 5-[(2-bromobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
ethyl 1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)triazole-4-carboxylate
CID 137049407

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate (CID 59539012) is ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate is CCOC(=O)c1cc2c(C(=O)NC)cccn2n1.
What is the InChIKey of ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is PWBBHWFASMHCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-18-12(17)9-7-10-8(11(16)13-2)5-4-6-15(10)14-9/h4-7H,3H2,1-2H3,(H,13,16).
What are the key properties of ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 247.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methylcarbamoyl)pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 59539012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).