5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C14H17N3O — CID 53357551

IUPAC5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCn1[nH]c2c(c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H17N3O/c1-16-14(18)12-10-17(8-7-13(12)15-16)9-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyAPOLWDJJWGJUCD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds2

About 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 53357551) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID53357551
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCn1[nH]c2c(c1=O)CN(Cc1ccccc1)CC2
InChIInChI=1S/C14H17N3O/c1-16-14(18)12-10-17(8-7-13(12)15-16)9-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyAPOLWDJJWGJUCD-UHFFFAOYSA-N
XLogP1.27
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 53357551) is 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is Cn1[nH]c2c(c1=O)CN(Cc1ccccc1)CC2.
What is the InChIKey of 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is APOLWDJJWGJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-14(18)12-10-17(8-7-13(12)15-16)9-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3.
What are the key properties of 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 243.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 53357551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).