N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine

C9H16FN3 — CID 90811416

IUPACN-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine
SMILESCCc1cnn(C)c1CNCCF
InChIInChI=1S/C9H16FN3/c1-3-8-6-12-13(2)9(8)7-11-5-4-10/h6,11H,3-5,7H2,1-2H3
InChIKeyROBQBAOAHKPAAL-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.04
Rot. Bonds5

About N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine

N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine (PubChem CID 90811416) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine
PubChem CID90811416
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC NameN-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine
SMILESCCc1cnn(C)c1CNCCF
InChIInChI=1S/C9H16FN3/c1-3-8-6-12-13(2)9(8)7-11-5-4-10/h6,11H,3-5,7H2,1-2H3
InChIKeyROBQBAOAHKPAAL-UHFFFAOYSA-N
XLogP1.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.04
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-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine?
The IUPAC name of N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine (CID 90811416) is N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine?
The canonical SMILES for N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine is CCc1cnn(C)c1CNCCF.
What is the InChIKey of N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine?
The InChIKey is ROBQBAOAHKPAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-3-8-6-12-13(2)9(8)7-11-5-4-10/h6,11H,3-5,7H2,1-2H3.
What are the key properties of N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine?
N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine has a molecular weight of 185.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluoroethanamine is sourced from PubChem (CID 90811416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).