N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine

C20H30FN5O — CID 42689954

IUPACN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CNCCOC
InChIInChI=1S/C20H30FN5O/c1-4-19-18(15-22-9-14-27-3)20(25-12-10-24(2)11-13-25)26(23-19)17-7-5-16(21)6-8-17/h5-8,22H,4,9-15H2,1-3H3
InChIKeyGNHWYMUXLGWBRG-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.06
Rot. Bonds8

About N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 42689954) has the molecular formula C20H30FN5O and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID42689954
Molecular FormulaC20H30FN5O
Molecular Weight375.49 g/mol
Exact Mass375.24
IUPAC NameN-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CNCCOC
InChIInChI=1S/C20H30FN5O/c1-4-19-18(15-22-9-14-27-3)20(25-12-10-24(2)11-13-25)26(23-19)17-7-5-16(21)6-8-17/h5-8,22H,4,9-15H2,1-3H3
InChIKeyGNHWYMUXLGWBRG-UHFFFAOYSA-N
XLogP2.06
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]ethanamine
CID 42876351
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 42878063
N-[[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 42876329
2-methoxy-N-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63058721
N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 42689956
N-[[3-ethyl-1-(2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]butan-2-amine
CID 42689953
N-[[1-(4-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 42690436
3-butyl-1-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-1-propylurea
CID 46080784
N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 42878090
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889
3-(4-ethoxyphenyl)-1-[[3-ethyl-1-(4-fluorophenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazol-4-yl]methyl]-1-propylurea
CID 46080786

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 42689954) is N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine is CCc1nn(-c2ccc(F)cc2)c(N2CCN(C)CC2)c1CNCCOC.
What is the InChIKey of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is GNHWYMUXLGWBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN5O/c1-4-19-18(15-22-9-14-27-3)20(25-12-10-24(2)11-13-25)26(23-19)17-7-5-16(21)6-8-17/h5-8,22H,4,9-15H2,1-3H3.
What are the key properties of N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 375.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-1-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 42689954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).