2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

C14H15N3O3 — CID 22988014

IUPAC2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCC2=NN(Cc3ccccc3)C(=O)C2C1
InChIInChI=1S/C14H15N3O3/c18-13-11-9-16(14(19)20)7-6-12(11)15-17(13)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,19,20)
InChIKeyCJPWRKVQPYKIDT-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.38
Rot. Bonds2

About 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 22988014) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID22988014
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCC2=NN(Cc3ccccc3)C(=O)C2C1
InChIInChI=1S/C14H15N3O3/c18-13-11-9-16(14(19)20)7-6-12(11)15-17(13)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,19,20)
InChIKeyCJPWRKVQPYKIDT-UHFFFAOYSA-N
XLogP1.38
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 22557107
2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 22557151
2-benzyl-6-(pyridin-2-ylmethyl)-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 53371663
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
4-benzylpiperazine-1,3-dicarboxylic acid
CID 142773332
(3R,4S)-3-amino-4-benzylpiperidine-1-carboxylic acid
CID 67546893
1-benzyl-3-oxo-2,3a,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridine-6-carboxylic acid
CID 175210645
3-[(2-benzyl-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methyl]benzonitrile
CID 53373509
2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydro-3aH-indazol-3-one
CID 63276255
8-benzyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 69225043
1-[4-[(3aS)-5-benzoyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-2-yl]phenyl]-3-(3,4-dichlorophenyl)urea
CID 98414723
3-acetyl-1-benzylazetidin-2-one
CID 13222627

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 22988014) is 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is O=C(O)N1CCC2=NN(Cc3ccccc3)C(=O)C2C1.
What is the InChIKey of 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is CJPWRKVQPYKIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-11-9-16(14(19)20)7-6-12(11)15-17(13)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,19,20).
What are the key properties of 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 22988014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).