N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine

C10H18FN3 — CID 122168974

IUPACN-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
SMILESCCCCNc1c(C)cnn1CCF
InChIInChI=1S/C10H18FN3/c1-3-4-6-12-10-9(2)8-13-14(10)7-5-11/h8,12H,3-7H2,1-2H3
InChIKeyQTOGNWKONZAFNY-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.37
Rot. Bonds6

About N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine

N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine (PubChem CID 122168974) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound NameN-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
PubChem CID122168974
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC NameN-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine
SMILESCCCCNc1c(C)cnn1CCF
InChIInChI=1S/C10H18FN3/c1-3-4-6-12-10-9(2)8-13-14(10)7-5-11/h8,12H,3-7H2,1-2H3
InChIKeyQTOGNWKONZAFNY-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.37
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-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
The IUPAC name of N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine (CID 122168974) is N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
The canonical SMILES for N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine is CCCCNc1c(C)cnn1CCF.
What is the InChIKey of N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
The InChIKey is QTOGNWKONZAFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-4-6-12-10-9(2)8-13-14(10)7-5-11/h8,12H,3-7H2,1-2H3.
What are the key properties of N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine?
N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine has a molecular weight of 199.27 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-fluoroethyl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 122168974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).