8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine

C20H21FN4 — CID 135609739

IUPAC8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine
SMILESCc1ccc(CN2CNc3c(-c4ccccc4F)c(C)nn3C2)cc1
InChIInChI=1S/C20H21FN4/c1-14-7-9-16(10-8-14)11-24-12-22-20-19(15(2)23-25(20)13-24)17-5-3-4-6-18(17)21/h3-10,22H,11-13H2,1-2H3
InChIKeyLJWALUNOHJHNLA-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.15
Rot. Bonds3

About 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine

8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine (PubChem CID 135609739) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine
PubChem CID135609739
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine
SMILESCc1ccc(CN2CNc3c(-c4ccccc4F)c(C)nn3C2)cc1
InChIInChI=1S/C20H21FN4/c1-14-7-9-16(10-8-14)11-24-12-22-20-19(15(2)23-25(20)13-24)17-5-3-4-6-18(17)21/h3-10,22H,11-13H2,1-2H3
InChIKeyLJWALUNOHJHNLA-UHFFFAOYSA-N
XLogP4.15
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
N-[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-N',N'-dimethylpropane-1,3-diamine
CID 3230059
1-(cyclohexylmethyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 869112
N-[2-(2-fluorophenyl)ethyl]-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 6484057
N-[2,5-dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethyl-propane-1,3-diamine
CID 16669380
N-[2-(4-methylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 137635414
N-[2-(4-ethylphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 137656465
N-[2-(2-fluorophenyl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-amine
CID 6484054
1-Cyclohexyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 599772
2,5-dimethyl-3-(4-methylphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4900527
N-benzyl-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16449946
N-(cyclohexylmethyl)-2,5-dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71452543

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine (CID 135609739) is 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine is Cc1ccc(CN2CNc3c(-c4ccccc4F)c(C)nn3C2)cc1.
What is the InChIKey of 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is LJWALUNOHJHNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-14-7-9-16(10-8-14)11-24-12-22-20-19(15(2)23-25(20)13-24)17-5-3-4-6-18(17)21/h3-10,22H,11-13H2,1-2H3.
What are the key properties of 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine?
8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 336.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-7-methyl-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-pyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 135609739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).