N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C16H20FN3O — CID 43745564

IUPACN-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCC(Nc1cnn(CC2CCCO2)c1)c1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-12(15-6-2-3-7-16(15)17)19-13-9-18-20(10-13)11-14-5-4-8-21-14/h2-3,6-7,9-10,12,14,19H,4-5,8,11H2,1H3
InChIKeyFPLGNUIETNNJDG-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745564) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745564
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCC(Nc1cnn(CC2CCCO2)c1)c1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-12(15-6-2-3-7-16(15)17)19-13-9-18-20(10-13)11-14-5-4-8-21-14/h2-3,6-7,9-10,12,14,19H,4-5,8,11H2,1H3
InChIKeyFPLGNUIETNNJDG-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(2,6-Difluorophenyl)propan-2-yl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45833087
(4-fluorobenzyl)[(1-isopropyl-1H-pyrazol-4-yl)methyl](tetrahydrofuran-2-ylmethyl)amine
CID 46998990
1-[2-(Dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 53498533
1-[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]-N-(tetrahydro-2-furanylmethyl)methanamine
CID 45244149
N-[(4-fluorophenyl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46962827
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 53568133
n-(4-Fluorobenzyl)-1-propyl-1h-pyrazol-4-amine
CID 71846203
N-[(1-methylpyrazol-4-yl)methyl]-2-(oxolan-3-yl)-1-phenylethanamine
CID 75388154
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(o-fluorophenyl)acetamide
CID 97428150
2-(2-fluorophenyl)-N-[1-[2-[(2-methyloxolan-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 110248582
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(oxolan-2-yl)-1-phenylmethanamine
CID 121534893
(3S)-2,2-dimethyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]oxolan-3-amine
CID 164630430

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745564) is N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is CC(Nc1cnn(CC2CCCO2)c1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is FPLGNUIETNNJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12(15-6-2-3-7-16(15)17)19-13-9-18-20(10-13)11-14-5-4-8-21-14/h2-3,6-7,9-10,12,14,19H,4-5,8,11H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).