ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C17H19F2N3O2 — CID 164771765

IUPACethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c2c(nn1Cc1ccccc1C(F)F)CCNC2
InChIInChI=1S/C17H19F2N3O2/c1-2-24-17(23)15-13-9-20-8-7-14(13)21-22(15)10-11-5-3-4-6-12(11)16(18)19/h3-6,16,20H,2,7-10H2,1H3
InChIKeyGIJDCODDNWFYGH-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.69
Rot. Bonds5

About ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 164771765) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID164771765
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Nameethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c2c(nn1Cc1ccccc1C(F)F)CCNC2
InChIInChI=1S/C17H19F2N3O2/c1-2-24-17(23)15-13-9-20-8-7-14(13)21-22(15)10-11-5-3-4-6-12(11)16(18)19/h3-6,16,20H,2,7-10H2,1H3
InChIKeyGIJDCODDNWFYGH-UHFFFAOYSA-N
XLogP2.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[1-[2-(difluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 138471702
2-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 105448944
diethyl 1-[[2-[[4,5-bis(ethoxycarbonyl)triazol-1-yl]methyl]phenyl]methyl]triazole-4,5-dicarboxylate
CID 4232507
ethyl 1-(3-phenylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 56703895
ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-3-carboxylate
CID 84666770
1-[[2-(difluoromethyl)phenyl]methyl]-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxylic acid
CID 138471866
ethyl 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738081
ethyl 2-(diethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738064
ethyl 1-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 177302574
ethyl 1-(4-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 82587186
diethyl oxalate;ethyl 5-amino-1-[(2-fluorophenyl)methyl]pyrazole-3-carboxylate
CID 126572603
ethyl 1-[(2-fluorophenyl)methyl]-5-(methylamino)pyrazole-3-carboxylate
CID 142141989

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 164771765) is ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1c2c(nn1Cc1ccccc1C(F)F)CCNC2.
What is the InChIKey of ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is GIJDCODDNWFYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-2-24-17(23)15-13-9-20-8-7-14(13)21-22(15)10-11-5-3-4-6-12(11)16(18)19/h3-6,16,20H,2,7-10H2,1H3.
What are the key properties of ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 335.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(difluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 164771765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).