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

C21H24FN3O2 — CID 131948636

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine
SMILESCN(Cc1ccc(C2CCCCO2)o1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c1-25(14-18-9-10-20(27-18)19-4-2-3-11-26-19)13-16-12-23-24-21(16)15-5-7-17(22)8-6-15/h5-10,12,19H,2-4,11,13-14H2,1H3,(H,23,24)
InChIKeyUUSPINUYYLZQMS-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.68
Rot. Bonds6

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

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine (PubChem CID 131948636) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine
PubChem CID131948636
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine
SMILESCN(Cc1ccc(C2CCCCO2)o1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H24FN3O2/c1-25(14-18-9-10-20(27-18)19-4-2-3-11-26-19)13-16-12-23-24-21(16)15-5-7-17(22)8-6-15/h5-10,12,19H,2-4,11,13-14H2,1H3,(H,23,24)
InChIKeyUUSPINUYYLZQMS-UHFFFAOYSA-N
XLogP4.68
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(oxan-2-yl)furan-2-yl]-N-(quinoxalin-2-ylmethyl)methanamine
CID 74240539
N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-thiophen-3-ylmethanamine
CID 56711474
N-methyl-N-[[5-(oxan-2-yl)furan-2-yl]methyl]-1-[3-(2H-tetrazol-5-yl)phenyl]methanamine
CID 77094972
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 40578642
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 50975857
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
CID 46998465
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 46993702
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethanamine
CID 171906462
[3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2,4,6-trimethylphenyl]methanol
CID 46997901
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(2S)-oxolan-2-yl]ethanamine
CID 95592451
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56711974
1-(4-fluorophenyl)-4-[[5-(oxan-2-yl)furan-2-yl]methyl]-1,4-diazepane
CID 74247790

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine (CID 131948636) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine is CN(Cc1ccc(C2CCCCO2)o1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine?
The InChIKey is UUSPINUYYLZQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-25(14-18-9-10-20(27-18)19-4-2-3-11-26-19)13-16-12-23-24-21(16)15-5-7-17(22)8-6-15/h5-10,12,19H,2-4,11,13-14H2,1H3,(H,23,24).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine has a molecular weight of 369.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-[5-(oxan-2-yl)furan-2-yl]methanamine is sourced from PubChem (CID 131948636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).