N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

C18H24FN3O — CID 46983461

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)n(C)n1
InChIInChI=1S/C18H24FN3O/c1-14-10-17(21(2)20-14)12-22(13-18-4-3-9-23-18)11-15-5-7-16(19)8-6-15/h5-8,10,18H,3-4,9,11-13H2,1-2H3
InChIKeyDYTWYYMKXUMCIZ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.05
Rot. Bonds6

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 46983461) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID46983461
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)n(C)n1
InChIInChI=1S/C18H24FN3O/c1-14-10-17(21(2)20-14)12-22(13-18-4-3-9-23-18)11-15-5-7-16(19)8-6-15/h5-8,10,18H,3-4,9,11-13H2,1-2H3
InChIKeyDYTWYYMKXUMCIZ-UHFFFAOYSA-N
XLogP3.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine 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-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 46983461) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is Cc1cc(CN(Cc2ccc(F)cc2)CC2CCCO2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is DYTWYYMKXUMCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-14-10-17(21(2)20-14)12-22(13-18-4-3-9-23-18)11-15-5-7-16(19)8-6-15/h5-8,10,18H,3-4,9,11-13H2,1-2H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 317.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 46983461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).