N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine

C15H19F2N3 — CID 66441107

IUPACN-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(C)cc2C)c1C(F)F
InChIInChI=1S/C15H19F2N3/c1-4-18-8-12-9-19-20(14(12)15(16)17)13-6-5-10(2)7-11(13)3/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyOUHVVVMYQUEDFE-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.54
Rot. Bonds5

About N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine

N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 66441107) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID66441107
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC NameN-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(C)cc2C)c1C(F)F
InChIInChI=1S/C15H19F2N3/c1-4-18-8-12-9-19-20(14(12)15(16)17)13-6-5-10(2)7-11(13)3/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyOUHVVVMYQUEDFE-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440879
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440964
N-[[5-(difluoromethyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440673
1-[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440074
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436809
N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
CID 82528562
N-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61271721
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
4-(bromomethyl)-1-(2,4-dimethylphenyl)-5-ethylpyrazole
CID 66437059
1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82419228

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine (CID 66441107) is N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2ccc(C)cc2C)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is OUHVVVMYQUEDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-18-8-12-9-19-20(14(12)15(16)17)13-6-5-10(2)7-11(13)3/h5-7,9,15,18H,4,8H2,1-3H3.
What are the key properties of N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 279.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66441107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).