(4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate

C15H17N3O3 — CID 145116681

IUPAC(4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCOc1ccc(COC(=O)N2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C15H17N3O3/c1-20-13-4-2-11(3-5-13)10-21-15(19)18-7-6-14-12(9-18)8-16-17-14/h2-5,8H,6-7,9-10H2,1H3,(H,16,17)
InChIKeyJNHGYXBYWAPXIY-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.11
Rot. Bonds3

About (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate

(4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 145116681) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
PubChem CID145116681
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCOc1ccc(COC(=O)N2CCc3[nH]ncc3C2)cc1
InChIInChI=1S/C15H17N3O3/c1-20-13-4-2-11(3-5-13)10-21-15(19)18-7-6-14-12(9-18)8-16-17-14/h2-5,8H,6-7,9-10H2,1H3,(H,16,17)
InChIKeyJNHGYXBYWAPXIY-UHFFFAOYSA-N
XLogP2.11
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate (CID 145116681) is (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate is COc1ccc(COC(=O)N2CCc3[nH]ncc3C2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is JNHGYXBYWAPXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-4-2-11(3-5-13)10-21-15(19)18-7-6-14-12(9-18)8-16-17-14/h2-5,8H,6-7,9-10H2,1H3,(H,16,17).
What are the key properties of (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate?
(4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 145116681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).