2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine

C11H20FN3 — CID 103023194

IUPAC2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
SMILESCC(C)C(F)(CN)CCc1cnn(C)c1
InChIInChI=1S/C11H20FN3/c1-9(2)11(12,8-13)5-4-10-6-14-15(3)7-10/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyXNAUKUMSHHIANW-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.68
Rot. Bonds5

About 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine

2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine (PubChem CID 103023194) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
PubChem CID103023194
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
SMILESCC(C)C(F)(CN)CCc1cnn(C)c1
InChIInChI=1S/C11H20FN3/c1-9(2)11(12,8-13)5-4-10-6-14-15(3)7-10/h6-7,9H,4-5,8,13H2,1-3H3
InChIKeyXNAUKUMSHHIANW-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
rac-((1R,2R)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropyl)methanamine dihydrochloride
CID 129841821
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929
3-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 62405677
(1R,2S)-2-(1-Methyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 91647634
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine (CID 103023194) is 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine is CC(C)C(F)(CN)CCc1cnn(C)c1.
What is the InChIKey of 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine?
The InChIKey is XNAUKUMSHHIANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-9(2)11(12,8-13)5-4-10-6-14-15(3)7-10/h6-7,9H,4-5,8,13H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine?
2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine has a molecular weight of 213.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine is sourced from PubChem (CID 103023194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).