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

C18H18F3N3S — CID 23398330

IUPAC1-(1-benzothiophen-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(-c3cc4ccccc4s3)c2C1
InChIInChI=1S/C18H18F3N3S/c1-11(2)23-8-7-13-14(10-23)24(22-17(13)18(19,20)21)16-9-12-5-3-4-6-15(12)25-16/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyJFXNTXKJOQZGLF-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.87
Rot. Bonds2

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

1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 23398330) has the molecular formula C18H18F3N3S and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID23398330
Molecular FormulaC18H18F3N3S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name1-(1-benzothiophen-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(-c3cc4ccccc4s3)c2C1
InChIInChI=1S/C18H18F3N3S/c1-11(2)23-8-7-13-14(10-23)24(22-17(13)18(19,20)21)16-9-12-5-3-4-6-15(12)25-16/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyJFXNTXKJOQZGLF-UHFFFAOYSA-N
XLogP4.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-[2-Phenyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]phenyl]piperazine
CID 59633173
1-(3-(1-tert-butyl-5-(thiophene-2-yl)-1H-pyrazol-3-yl)propyl)-4-(bis(4-fluorophenyl)methyl)piperazine
CID 68557193
1-(bis(4-fluorophenyl)methyl)-4-(3-(1-phenyl-5-(thiophene-2-yl)-1H-pyrazol-3-yl)propyl)piperazine
CID 68557292
4-[3-(2-Ethylhexyl)-1-benzothiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140780387
N,N-diphenyl-5-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]thiophen-2-amine
CID 140780431
4-(5-Hexylthiophen-2-yl)-2-[4-hexyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140780490
5-(5-Hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140780498
4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140780508
4-(5-Hexylthiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 140780513
1-Benzyl-5-[5-(3-methylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 143385418
N-benzyl-N-ethyl-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethenamine
CID 143533874
4-Benzyl-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine
CID 143534088

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 23398330) is 1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-(1-benzothiophen-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(-c3cc4ccccc4s3)c2C1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is JFXNTXKJOQZGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3S/c1-11(2)23-8-7-13-14(10-23)24(22-17(13)18(19,20)21)16-9-12-5-3-4-6-15(12)25-16/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 365.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-6-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 23398330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).