ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

C15H16ClN3O2 — CID 108725868

IUPACethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChIInChI=1S/C15H16ClN3O2/c1-2-21-15(20)19-7-6-13-12(9-19)14(18-17-13)10-4-3-5-11(16)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyOPAUMZSJAVUADS-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.24
Rot. Bonds2

About ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 108725868) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID108725868
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Nameethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1
InChIInChI=1S/C15H16ClN3O2/c1-2-21-15(20)19-7-6-13-12(9-19)14(18-17-13)10-4-3-5-11(16)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyOPAUMZSJAVUADS-UHFFFAOYSA-N
XLogP3.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (CID 108725868) is ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is CCOC(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1.
What is the InChIKey of ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is OPAUMZSJAVUADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-21-15(20)19-7-6-13-12(9-19)14(18-17-13)10-4-3-5-11(16)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,17,18).
What are the key properties of ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 305.77 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 108725868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).