ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C23H22F3N3O3 — CID 26133300

IUPACethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C23H22F3N3O3/c1-2-32-22(31)20-18-14-28(12-10-19(18)29(27-20)13-11-23(24,25)26)21(30)17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,2,10-14H2,1H3
InChIKeySAXYSNCQDAMEFX-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.36
Rot. Bonds5

About ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26133300) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26133300
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Nameethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cccc3ccccc13)CC2
InChIInChI=1S/C23H22F3N3O3/c1-2-32-22(31)20-18-14-28(12-10-19(18)29(27-20)13-11-23(24,25)26)21(30)17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,2,10-14H2,1H3
InChIKeySAXYSNCQDAMEFX-UHFFFAOYSA-N
XLogP4.36
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(thiophene-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136937
ethyl 5-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26234133
ethyl 5-(1H-indole-5-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26141481
ethyl 1-ethyl-5-[2-(1H-imidazol-2-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26224805
ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146857
ethyl 5-(5-methyl-1H-imidazole-2-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142683
ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)pyrazolidine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 74492952
ethyl 1-(3-phenylpropyl)-5-(1,2,5-thiadiazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26233523
ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136993
ethyl 5-(3-ethyl-1-methylpyrazole-5-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220418
ethyl 1-(pyridin-2-ylmethyl)-5-(thiophene-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142273
ethyl 1-ethyl-5-(1-ethylpyrazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135305

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26133300) is ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCC(F)(F)F)c2c1CN(C(=O)c1cccc3ccccc13)CC2.
What is the InChIKey of ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is SAXYSNCQDAMEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-2-32-22(31)20-18-14-28(12-10-19(18)29(27-20)13-11-23(24,25)26)21(30)17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,2,10-14H2,1H3.
What are the key properties of ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 445.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(naphthalene-1-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26133300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).