3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine

C21H17FN4 — CID 729625

IUPAC3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)-c2nc3ccccc3nc21
InChIInChI=1S/C21H17FN4/c1-21(2)11-18-15(12-23-26(18)14-9-7-13(22)8-10-14)19-20(21)25-17-6-4-3-5-16(17)24-19/h3-10,12H,11H2,1-2H3
InChIKeyGSQAEXMDBAMETH-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.46
Rot. Bonds1

About 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine

3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine (PubChem CID 729625) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine
PubChem CID729625
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine
SMILESCC1(C)Cc2c(cnn2-c2ccc(F)cc2)-c2nc3ccccc3nc21
InChIInChI=1S/C21H17FN4/c1-21(2)11-18-15(12-23-26(18)14-9-7-13(22)8-10-14)19-20(21)25-17-6-4-3-5-16(17)24-19/h3-10,12H,11H2,1-2H3
InChIKeyGSQAEXMDBAMETH-UHFFFAOYSA-N
XLogP4.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
1-[[6-(2-Fluorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155522079
3-Phenyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504998
1,5,5-Trimethyl-2,4-dihydropyrazolo[4,3-a]phenazine
CID 665899
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-(1-methylpyrazol-4-yl)triazolo[4,5-c]quinoline
CID 137634638
N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 137646288
1-[(4-Fluorophenyl)methyl]-8-(2-methyl-4-pyridinyl)triazolo[4,5-c]quinoline
CID 137655950
7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990622
1-[(1S)-1-(4-fluorophenyl)ethyl]-8-phenyltriazolo[4,5-c]quinoline
CID 137651705
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]-2,3-diphenylquinoxalin-6-amine
CID 156013915
2,3-bis(4-fluorophenyl)-N-[(1-phenyltriazol-4-yl)methyl]quinoxalin-6-amine
CID 156016339
2,3-bis(4-fluorophenyl)-N-[[1-(4-methylphenyl)triazol-4-yl]methyl]quinoxalin-6-amine
CID 156019857

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine?
The IUPAC name of 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine (CID 729625) is 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine.
What is the SMILES notation for 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine?
The canonical SMILES for 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine is CC1(C)Cc2c(cnn2-c2ccc(F)cc2)-c2nc3ccccc3nc21.
What is the InChIKey of 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine?
The InChIKey is GSQAEXMDBAMETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-21(2)11-18-15(12-23-26(18)14-9-7-13(22)8-10-14)19-20(21)25-17-6-4-3-5-16(17)24-19/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine?
3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine has a molecular weight of 344.39 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazolo[4,5-a]phenazine is sourced from PubChem (CID 729625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).