benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

C20H19N3O2 — CID 121435055

IUPACbenzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C20H19N3O2/c24-20(25-14-15-7-3-1-4-8-15)23-12-11-18-17(13-23)19(22-21-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22)
InChIKeyWSMFKXWCVZRYQQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.77
Rot. Bonds3

About benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 121435055) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID121435055
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namebenzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1
InChIInChI=1S/C20H19N3O2/c24-20(25-14-15-7-3-1-4-8-15)23-12-11-18-17(13-23)19(22-21-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22)
InChIKeyWSMFKXWCVZRYQQ-UHFFFAOYSA-N
XLogP3.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (CID 121435055) is benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is O=C(OCc1ccccc1)N1CCc2[nH]nc(-c3ccccc3)c2C1.
What is the InChIKey of benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is WSMFKXWCVZRYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25-14-15-7-3-1-4-8-15)23-12-11-18-17(13-23)19(22-21-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,22).
What are the key properties of benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 121435055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).