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

C19H23N3O2 — CID 121435510

IUPACbenzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC1Cc2[nH]nc(C3CCC3)c2CN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-13-10-17-16(18(21-20-17)15-8-5-9-15)11-22(13)19(23)24-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,20,21)
InChIKeyPTXZUCRXHYMMOY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.76
Rot. Bonds3

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

benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 121435510) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID121435510
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Namebenzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC1Cc2[nH]nc(C3CCC3)c2CN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-13-10-17-16(18(21-20-17)15-8-5-9-15)11-22(13)19(23)24-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,20,21)
InChIKeyPTXZUCRXHYMMOY-UHFFFAOYSA-N
XLogP3.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (CID 121435510) is benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is CC1Cc2[nH]nc(C3CCC3)c2CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is PTXZUCRXHYMMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-10-17-16(18(21-20-17)15-8-5-9-15)11-22(13)19(23)24-12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,20,21).
What are the key properties of benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-cyclobutyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 121435510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).