5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

C18H15FN4 — CID 166043247

IUPAC5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESCc1ccc2c(c1)-c1[nH]ncc1NC(c1c(C)cccc1F)=N2
InChIInChI=1S/C18H15FN4/c1-10-6-7-14-12(8-10)17-15(9-20-23-17)22-18(21-14)16-11(2)4-3-5-13(16)19/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyTZPAXLMISREPLH-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.34
Rot. Bonds1

About 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine

5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (PubChem CID 166043247) has the molecular formula C18H15FN4 and a molecular weight of 306.34 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
PubChem CID166043247
Molecular FormulaC18H15FN4
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC Name5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
SMILESCc1ccc2c(c1)-c1[nH]ncc1NC(c1c(C)cccc1F)=N2
InChIInChI=1S/C18H15FN4/c1-10-6-7-14-12(8-10)17-15(9-20-23-17)22-18(21-14)16-11(2)4-3-5-13(16)19/h3-9H,1-2H3,(H,20,23)(H,21,22)
InChIKeyTZPAXLMISREPLH-UHFFFAOYSA-N
XLogP4.34
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-ethyl-1-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 10273506
1-(2,4-dimethylphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865559
N-benzyl-N'-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59888699
1-(4-fluorophenyl)-4-methyl-7-(1H-pyrazol-4-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 68558426
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CID 68560076
1-(3,4-difluorophenyl)-4-methyl-7-(1H-pyrazol-4-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 68658945
2,4-dimethyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]aniline
CID 90867639
2-ethyl-4-methylidene-3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)quinazoline
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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine (CID 166043247) is 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is Cc1ccc2c(c1)-c1[nH]ncc1NC(c1c(C)cccc1F)=N2.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
The InChIKey is TZPAXLMISREPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4/c1-10-6-7-14-12(8-10)17-15(9-20-23-17)22-18(21-14)16-11(2)4-3-5-13(16)19/h3-9H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine?
5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine has a molecular weight of 306.34 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine is sourced from PubChem (CID 166043247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).