N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine

C20H28FN3O — CID 46962827

IUPACN-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCCn1ncc(CN(Cc2ccc(F)cc2)CC2CCCO2)c1C
InChIInChI=1S/C20H28FN3O/c1-3-10-24-16(2)18(12-22-24)14-23(15-20-5-4-11-25-20)13-17-6-8-19(21)9-7-17/h6-9,12,20H,3-5,10-11,13-15H2,1-2H3
InChIKeyQBJLKZUNMXELDF-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.92
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 46962827) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID46962827
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCCn1ncc(CN(Cc2ccc(F)cc2)CC2CCCO2)c1C
InChIInChI=1S/C20H28FN3O/c1-3-10-24-16(2)18(12-22-24)14-23(15-20-5-4-11-25-20)13-17-6-8-19(21)9-7-17/h6-9,12,20H,3-5,10-11,13-15H2,1-2H3
InChIKeyQBJLKZUNMXELDF-UHFFFAOYSA-N
XLogP3.92
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 16189956
CID 16189956
CID 16188428
CID 16188428
CID 16190067
CID 16190067
CID 16190145
CID 16190145
CID 16192474
CID 16192474
CID 16189951
CID 16189951
CID 30936167
CID 30936167
CID 45190633
CID 45190633
CID 45196985
CID 45196985
CID 46998990
CID 46998990
CID 56894626
CID 56894626
CID 97384238
CID 97384238

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 46962827) is N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is CCCn1ncc(CN(Cc2ccc(F)cc2)CC2CCCO2)c1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is QBJLKZUNMXELDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-3-10-24-16(2)18(12-22-24)14-23(15-20-5-4-11-25-20)13-17-6-8-19(21)9-7-17/h6-9,12,20H,3-5,10-11,13-15H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 345.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 46962827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).