4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine

C20H22FN3O — CID 134439957

IUPAC4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine
SMILESCCc1c(-c2ccc(F)cc2)nn(CCOCc2ccccc2)c1N
InChIInChI=1S/C20H22FN3O/c1-2-18-19(16-8-10-17(21)11-9-16)23-24(20(18)22)12-13-25-14-15-6-4-3-5-7-15/h3-11H,2,12-14,22H2,1H3
InChIKeyMOYHXLPWOOJMEQ-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.05
Rot. Bonds7

About 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine

4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine (PubChem CID 134439957) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine
PubChem CID134439957
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine
SMILESCCc1c(-c2ccc(F)cc2)nn(CCOCc2ccccc2)c1N
InChIInChI=1S/C20H22FN3O/c1-2-18-19(16-8-10-17(21)11-9-16)23-24(20(18)22)12-13-25-14-15-6-4-3-5-7-15/h3-11H,2,12-14,22H2,1H3
InChIKeyMOYHXLPWOOJMEQ-UHFFFAOYSA-N
XLogP4.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.05
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

US10174037, Example 42
CID 124109025
4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104863
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 51105099
4-[[[3-(methoxymethyl)phenyl]methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105100
5-(3,5-difluorophenyl)-N-[(1S,3R)-3-fluorocyclopentyl]-4-(methoxymethyl)-1-methylpyrazol-3-amine
CID 16113659
5-(3,5-difluorophenyl)-N-[(1S,2R)-2-fluorocyclopentyl]-4-(methoxymethyl)-1-methylpyrazol-3-amine
CID 16113660
N-cyclopentyl-5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-amine
CID 16113662
N-[(1S,3R)-3-fluorocyclopentyl]-4-(methoxymethyl)-1-methyl-5-(3,4,5-trifluorophenyl)pyrazol-3-amine
CID 16113663
1-[4-(Benzyloxy)butyl]-5-(4-fluorophenyl)-3-methyl-1H-pyrazole
CID 59281265
5-(4-Fluorophenyl)-1-(2-phenylmethoxyethyl)-3-(3-phenylpropyl)pyrazole
CID 69641807
2-(5-amino-3-(3-fluorophenyl)-4-(phenylethynyl)-1H-pyrazol-1-yl)ethanol
CID 70983357
2-(5-amino-3-(4-fluorophenyl)-4-(phenylethynyl)-1H-pyrazol-1-yl)ethanol
CID 70983632

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine?
The IUPAC name of 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine (CID 134439957) is 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine.
What is the SMILES notation for 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine?
The canonical SMILES for 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine is CCc1c(-c2ccc(F)cc2)nn(CCOCc2ccccc2)c1N.
What is the InChIKey of 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine?
The InChIKey is MOYHXLPWOOJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-2-18-19(16-8-10-17(21)11-9-16)23-24(20(18)22)12-13-25-14-15-6-4-3-5-7-15/h3-11H,2,12-14,22H2,1H3.
What are the key properties of 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine?
4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine has a molecular weight of 339.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-amine is sourced from PubChem (CID 134439957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).