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

C15H20FN3 — CID 81448151

IUPACN-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cnn(CC)c2)c(F)c1
InChIInChI=1S/C15H20FN3/c1-3-7-17-9-12-5-6-14(15(16)8-12)13-10-18-19(4-2)11-13/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyLALCUGFNWMCNSE-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.21
Rot. Bonds6

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

N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine (PubChem CID 81448151) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine
PubChem CID81448151
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cnn(CC)c2)c(F)c1
InChIInChI=1S/C15H20FN3/c1-3-7-17-9-12-5-6-14(15(16)8-12)13-10-18-19(4-2)11-13/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3
InChIKeyLALCUGFNWMCNSE-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine (CID 81448151) is N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cnn(CC)c2)c(F)c1.
What is the InChIKey of N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine?
The InChIKey is LALCUGFNWMCNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-7-17-9-12-5-6-14(15(16)8-12)13-10-18-19(4-2)11-13/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3.
What are the key properties of N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine?
N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-ethylpyrazol-4-yl)-3-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 81448151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).