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

C23H24F3N5O3 — CID 26227711

IUPACethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC2
InChIInChI=1S/C23H24F3N5O3/c1-2-34-22(33)20-16-14-30(21(32)17-13-19(28-27-17)23(24,25)26)12-10-18(16)31(29-20)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3,(H,27,28)
InChIKeySXDWQOAOYORAIY-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.63
Rot. Bonds7

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

ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26227711) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26227711
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Nameethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC2
InChIInChI=1S/C23H24F3N5O3/c1-2-34-22(33)20-16-14-30(21(32)17-13-19(28-27-17)23(24,25)26)12-10-18(16)31(29-20)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3,(H,27,28)
InChIKeySXDWQOAOYORAIY-UHFFFAOYSA-N
XLogP3.63
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26227711) is ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1cc(C(F)(F)F)[nH]n1)CC2.
What is the InChIKey of ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is SXDWQOAOYORAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-2-34-22(33)20-16-14-30(21(32)17-13-19(28-27-17)23(24,25)26)12-10-18(16)31(29-20)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,2,6,9-12,14H2,1H3,(H,27,28).
What are the key properties of ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 475.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylpropyl)-5-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26227711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).