N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine

C15H20FN3 — CID 63278795

IUPACN-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCNCCCc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H20FN3/c1-2-17-9-3-4-14-10-18-19(12-14)11-13-5-7-15(16)8-6-13/h5-8,10,12,17H,2-4,9,11H2,1H3
InChIKeyXJLPMESLTNDOQW-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.61
Rot. Bonds7

About N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine

N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 63278795) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID63278795
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCNCCCc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H20FN3/c1-2-17-9-3-4-14-10-18-19(12-14)11-13-5-7-15(16)8-6-13/h5-8,10,12,17H,2-4,9,11H2,1H3
InChIKeyXJLPMESLTNDOQW-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 63276731
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
4-(3-chloropropyl)-1-[(4-fluorophenyl)methyl]pyrazole
CID 63278715
2-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 112754953
N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
CID 62717965
N-ethyl-3-(1-pentan-3-ylpyrazol-4-yl)propan-1-amine
CID 62719656
3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanoic acid
CID 122240608
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094
[1-[[4-(4-fluorophenyl)phenyl]methyl]pyrazol-4-yl]methanol
CID 166351915
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 63278795) is N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine is CCNCCCc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is XJLPMESLTNDOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-17-9-3-4-14-10-18-19(12-14)11-13-5-7-15(16)8-6-13/h5-8,10,12,17H,2-4,9,11H2,1H3.
What are the key properties of N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine?
N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 63278795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).