N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine

C15H18F3N3 — CID 66442168

IUPACN-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnn(-c2cccc(F)c2)c1C(F)F
InChIInChI=1S/C15H18F3N3/c1-10(2)7-19-8-11-9-20-21(14(11)15(17)18)13-5-3-4-12(16)6-13/h3-6,9-10,15,19H,7-8H2,1-2H3
InChIKeyFEDCGFBIMLEOBX-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.69
Rot. Bonds6

About N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66442168) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66442168
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnn(-c2cccc(F)c2)c1C(F)F
InChIInChI=1S/C15H18F3N3/c1-10(2)7-19-8-11-9-20-21(14(11)15(17)18)13-5-3-4-12(16)6-13/h3-6,9-10,15,19H,7-8H2,1-2H3
InChIKeyFEDCGFBIMLEOBX-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66442168) is N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnn(-c2cccc(F)c2)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is FEDCGFBIMLEOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10(2)7-19-8-11-9-20-21(14(11)15(17)18)13-5-3-4-12(16)6-13/h3-6,9-10,15,19H,7-8H2,1-2H3.
What are the key properties of N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66442168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).