2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine

C8H14FN3 — CID 103023149

IUPAC2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCn1cc(CCC(F)CN)cn1
InChIInChI=1S/C8H14FN3/c1-12-6-7(5-11-12)2-3-8(9)4-10/h5-6,8H,2-4,10H2,1H3
InChIKeyGIKJZKBBDAYYNC-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.65
Rot. Bonds4

About 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine

2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 103023149) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID103023149
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCn1cc(CCC(F)CN)cn1
InChIInChI=1S/C8H14FN3/c1-12-6-7(5-11-12)2-3-8(9)4-10/h5-6,8H,2-4,10H2,1H3
InChIKeyGIKJZKBBDAYYNC-UHFFFAOYSA-N
XLogP0.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
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CID 91647633
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
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005857
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
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CID 43199853

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine (CID 103023149) is 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine is Cn1cc(CCC(F)CN)cn1.
What is the InChIKey of 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is GIKJZKBBDAYYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-12-6-7(5-11-12)2-3-8(9)4-10/h5-6,8H,2-4,10H2,1H3.
What are the key properties of 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine?
2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 171.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 103023149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).