2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine

C12H14FN3O — CID 117230526

IUPAC2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine
SMILESCNCCOc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H14FN3O/c1-14-6-7-17-12-8-15-16(9-12)11-4-2-10(13)3-5-11/h2-5,8-9,14H,6-7H2,1H3
InChIKeyDJXAGSYCBIOORK-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.61
Rot. Bonds5

About 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine

2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine (PubChem CID 117230526) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine
PubChem CID117230526
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine
SMILESCNCCOc1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H14FN3O/c1-14-6-7-17-12-8-15-16(9-12)11-4-2-10(13)3-5-11/h2-5,8-9,14H,6-7H2,1H3
InChIKeyDJXAGSYCBIOORK-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-methoxypyrazole
CID 117229730
N-methyl-3-[1-(3-methylphenyl)pyrazol-4-yl]oxypropan-1-amine
CID 117230384
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
CID 117234072
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
CID 117230345
1-(4-fluorophenyl)-4-(2-methoxyphenoxy)pyrazole
CID 117229286
2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanol
CID 117230397
N-(2-fluoroethyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 167937484
ethane;4-ethoxy-1-(4-methylphenyl)pyrazole
CID 145188888
4-(4-ethoxypyrazol-1-yl)phenol
CID 117229696
N'-[1-(4-fluorophenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210594
4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole
CID 177250502
N-ethyl-2-(4-fluorophenoxy)ethanamine;N-methylmethanamine
CID 22368875

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine (CID 117230526) is 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine is CNCCOc1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine?
The InChIKey is DJXAGSYCBIOORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-14-6-7-17-12-8-15-16(9-12)11-4-2-10(13)3-5-11/h2-5,8-9,14H,6-7H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine?
2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine has a molecular weight of 235.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazol-4-yl]oxy-N-methylethanamine is sourced from PubChem (CID 117230526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).