N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C15H19F2N3O — CID 79490434

IUPACN-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn[nH]c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2N3O/c1-15(2,3)18-8-11-9-19-20-13(11)10-4-6-12(7-5-10)21-14(16)17/h4-7,9,14,18H,8H2,1-3H3,(H,19,20)
InChIKeyNTICZGJTJQLYQT-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.57
Rot. Bonds5

About N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79490434) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID79490434
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn[nH]c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2N3O/c1-15(2,3)18-8-11-9-19-20-13(11)10-4-6-12(7-5-10)21-14(16)17/h4-7,9,14,18H,8H2,1-3H3,(H,19,20)
InChIKeyNTICZGJTJQLYQT-UHFFFAOYSA-N
XLogP3.57
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 79490434) is N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn[nH]c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NTICZGJTJQLYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-15(2,3)18-8-11-9-19-20-13(11)10-4-6-12(7-5-10)21-14(16)17/h4-7,9,14,18H,8H2,1-3H3,(H,19,20).
What are the key properties of N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79490434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).