benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

C16H18N2O2 — CID 134370026

IUPACbenzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCc1nn2c(c1C(=O)OCc1ccccc1)CCCC2
InChIInChI=1S/C16H18N2O2/c1-12-15(14-9-5-6-10-18(14)17-12)16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyPNKIZBCHXKSIEL-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.88
Rot. Bonds3

About benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate

benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 134370026) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID134370026
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namebenzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCc1nn2c(c1C(=O)OCc1ccccc1)CCCC2
InChIInChI=1S/C16H18N2O2/c1-12-15(14-9-5-6-10-18(14)17-12)16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyPNKIZBCHXKSIEL-UHFFFAOYSA-N
XLogP2.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(2,4-difluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylate
CID 134370059
3,5-dimethyl-1-phenylmethoxypyrazole-4-carboxylic acid;ethane
CID 143284338
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
(4-tert-butylphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913484
dibenzyl 3-methyl-1,2-thiazole-4,5-dicarboxylate
CID 134511518
dibenzyl 5-methyltriazole-2,4-dicarboxylate
CID 134511510
benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 10110089
benzyl 3-cyclohexyl-5-methyl-1-phenylpyrazole-4-carboxylate
CID 134951291
benzyl 2-pyrrolidin-1-ylbenzoate
CID 168514928
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 2-methyl-5-(2-pyrrolidin-1-ylethylamino)-1H-indole-3-carboxylate
CID 10199610

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate (CID 134370026) is benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is Cc1nn2c(c1C(=O)OCc1ccccc1)CCCC2.
What is the InChIKey of benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is PNKIZBCHXKSIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-15(14-9-5-6-10-18(14)17-12)16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate?
benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 134370026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).