1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

C17H22FN3O — CID 126788095

IUPAC1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCC1(C)CCC(CNCc2cn[nH]c2-c2ccccc2F)O1
InChIInChI=1S/C17H22FN3O/c1-17(2)8-7-13(22-17)11-19-9-12-10-20-21-16(12)14-5-3-4-6-15(14)18/h3-6,10,13,19H,7-9,11H2,1-2H3,(H,20,21)
InChIKeyLAWKGTZGRLRFMT-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.26
Rot. Bonds5

About 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine

1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 126788095) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID126788095
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCC1(C)CCC(CNCc2cn[nH]c2-c2ccccc2F)O1
InChIInChI=1S/C17H22FN3O/c1-17(2)8-7-13(22-17)11-19-9-12-10-20-21-16(12)14-5-3-4-6-15(14)18/h3-6,10,13,19H,7-9,11H2,1-2H3,(H,20,21)
InChIKeyLAWKGTZGRLRFMT-UHFFFAOYSA-N
XLogP3.26
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine with MolForge

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Related Compounds

1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405
1-(5,5-dimethyloxolan-2-yl)-N-[(2-nitrophenyl)methyl]methanamine
CID 116521381
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 116521558
N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 126814491
chlorobenzene;3-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methylamino]propanamide
CID 171540298
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40578642
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40592688
2-bromo-N-[(5,5-dimethyloxolan-2-yl)methyl]-6-fluoroaniline
CID 107599198
1-(5,5-dimethyloxolan-2-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 116521375
N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2,5-dimethylpyrazol-3-amine
CID 75382057

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine (CID 126788095) is 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine is CC1(C)CCC(CNCc2cn[nH]c2-c2ccccc2F)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is LAWKGTZGRLRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-17(2)8-7-13(22-17)11-19-9-12-10-20-21-16(12)14-5-3-4-6-15(14)18/h3-6,10,13,19H,7-9,11H2,1-2H3,(H,20,21).
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 303.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-N-[[5-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 126788095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).