1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C20H20F3N3 — CID 23398311

IUPAC1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCC(C)N1CCc2c(C(F)(F)F)nn(-c3ccc4ccccc4c3)c2C1
InChIInChI=1S/C20H20F3N3/c1-13(2)25-10-9-17-18(12-25)26(24-19(17)20(21,22)23)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyXJMJJBVRVFCENE-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.81
Rot. Bonds2

About 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 23398311) has the molecular formula C20H20F3N3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID23398311
Molecular FormulaC20H20F3N3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCC(C)N1CCc2c(C(F)(F)F)nn(-c3ccc4ccccc4c3)c2C1
InChIInChI=1S/C20H20F3N3/c1-13(2)25-10-9-17-18(12-25)26(24-19(17)20(21,22)23)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyXJMJJBVRVFCENE-UHFFFAOYSA-N
XLogP4.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 23398311) is 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is CC(C)N1CCc2c(C(F)(F)F)nn(-c3ccc4ccccc4c3)c2C1.
What is the InChIKey of 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is XJMJJBVRVFCENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3/c1-13(2)25-10-9-17-18(12-25)26(24-19(17)20(21,22)23)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 359.40 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 23398311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).