ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate

C18H19N3O2 — CID 15103621

IUPACethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(cnn2-c2ccccc2)c(C(C)C)n1
InChIInChI=1S/C18H19N3O2/c1-4-23-18(22)15-10-16-14(17(20-15)12(2)3)11-19-21(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyZWRSPSKNBSACPY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.72
Rot. Bonds4

About ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate

ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate (PubChem CID 15103621) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
PubChem CID15103621
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Nameethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(cnn2-c2ccccc2)c(C(C)C)n1
InChIInChI=1S/C18H19N3O2/c1-4-23-18(22)15-10-16-14(17(20-15)12(2)3)11-19-21(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKeyZWRSPSKNBSACPY-UHFFFAOYSA-N
XLogP3.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate (CID 15103621) is ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate is CCOC(=O)c1cc2c(cnn2-c2ccccc2)c(C(C)C)n1.
What is the InChIKey of ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
The InChIKey is ZWRSPSKNBSACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-23-18(22)15-10-16-14(17(20-15)12(2)3)11-19-21(16)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate?
ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 15103621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).