3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

C16H12F3N3OS — CID 2743007

IUPAC3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc3c(c2)Nc2ccccc2S3)=NN1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)15(23)8-12(21-22-15)9-5-6-14-11(7-9)20-10-3-1-2-4-13(10)24-14/h1-7,20,22-23H,8H2
InChIKeyGBISDJXOQUYGBI-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.84
Rot. Bonds1

About 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (PubChem CID 2743007) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.

Molecular Properties

Compound Name3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
PubChem CID2743007
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc3c(c2)Nc2ccccc2S3)=NN1
InChIInChI=1S/C16H12F3N3OS/c17-16(18,19)15(23)8-12(21-22-15)9-5-6-14-11(7-9)20-10-3-1-2-4-13(10)24-14/h1-7,20,22-23H,8H2
InChIKeyGBISDJXOQUYGBI-UHFFFAOYSA-N
XLogP3.84
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-{2-[1-(10h-Phenothiazin-2-yl)ethylidene]hydrazinyl}propan-2-one
CID 139267153
2,4-difluoro-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 4243328
2,4-difluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 6046772
(5S)-3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 6977658
(5R)-3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
CID 6977659
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]-2-(trifluoromethyl)aniline
CID 7955322
4-fluoro-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 7955585
2,4-difluoro-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 9654476
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 9074069

Frequently Asked Questions

What is the IUPAC name of 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The IUPAC name of 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (CID 2743007) is 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.
What is the SMILES notation for 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The canonical SMILES for 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is OC1(C(F)(F)F)CC(c2ccc3c(c2)Nc2ccccc2S3)=NN1.
What is the InChIKey of 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The InChIKey is GBISDJXOQUYGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c17-16(18,19)15(23)8-12(21-22-15)9-5-6-14-11(7-9)20-10-3-1-2-4-13(10)24-14/h1-7,20,22-23H,8H2.
What are the key properties of 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol has a molecular weight of 351.35 g/mol, XLogP of 3.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10H-phenothiazin-2-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is sourced from PubChem (CID 2743007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).