1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine

C11H20FN3 — CID 122168908

IUPAC1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine
SMILESCc1cn(CCF)nc1NCCC(C)C
InChIInChI=1S/C11H20FN3/c1-9(2)4-6-13-11-10(3)8-15(14-11)7-5-12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyHJUMMWKSQXGIAZ-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.62
Rot. Bonds6

About 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine

1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine (PubChem CID 122168908) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine
PubChem CID122168908
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine
SMILESCc1cn(CCF)nc1NCCC(C)C
InChIInChI=1S/C11H20FN3/c1-9(2)4-6-13-11-10(3)8-15(14-11)7-5-12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyHJUMMWKSQXGIAZ-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine?
The IUPAC name of 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine (CID 122168908) is 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine is Cc1cn(CCF)nc1NCCC(C)C.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine?
The InChIKey is HJUMMWKSQXGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-9(2)4-6-13-11-10(3)8-15(14-11)7-5-12/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine?
1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine has a molecular weight of 213.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyl-N-(3-methylbutyl)pyrazol-3-amine is sourced from PubChem (CID 122168908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).