[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine

C8H12F3N3 — CID 115518207

IUPAC[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3/c9-8(10,11)2-1-3-14-6-7(4-12)5-13-14/h5-6H,1-4,12H2
InChIKeyCHXGCOXTELYNKE-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.68
Rot. Bonds4

About [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine

[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine (PubChem CID 115518207) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine
PubChem CID115518207
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(CCCC(F)(F)F)c1
InChIInChI=1S/C8H12F3N3/c9-8(10,11)2-1-3-14-6-7(4-12)5-13-14/h5-6H,1-4,12H2
InChIKeyCHXGCOXTELYNKE-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylpyrazole
CID 136836
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)methanamine
CID 565445
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
3-(4-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4715092
4-(chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 17854535
2-(4-Methyl-1H-pyrazol-1-yl)ethan-1-amine
CID 19616598
[(1-methyl-1H-pyrazol-4-yl)methyl](2-methylpropyl)amine
CID 42281904
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 45602148

Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine (CID 115518207) is [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine is NCc1cnn(CCCC(F)(F)F)c1.
What is the InChIKey of [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine?
The InChIKey is CHXGCOXTELYNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c9-8(10,11)2-1-3-14-6-7(4-12)5-13-14/h5-6H,1-4,12H2.
What are the key properties of [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine?
[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine has a molecular weight of 207.20 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 115518207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).