N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine

C8H10F3N3 — CID 106935124

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESC=Cn1cc(CNCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3/c1-2-14-5-7(4-13-14)3-12-6-8(9,10)11/h2,4-5,12H,1,3,6H2
InChIKeyVYQHATXVDOEHTK-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.64
Rot. Bonds4

About N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine

N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 106935124) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID106935124
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESC=Cn1cc(CNCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3/c1-2-14-5-7(4-13-14)3-12-6-8(9,10)11/h2,4-5,12H,1,3,6H2
InChIKeyVYQHATXVDOEHTK-UHFFFAOYSA-N
XLogP1.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 106937156
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 106936572
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
N-[(1-ethenylpyrazol-4-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 106937158
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106936218
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
2,2-dicyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106936989
N-[(1-ethenylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 106936642
2-but-3-enoxy-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 107094823

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine (CID 106935124) is N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine is C=Cn1cc(CNCC(F)(F)F)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is VYQHATXVDOEHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-2-14-5-7(4-13-14)3-12-6-8(9,10)11/h2,4-5,12H,1,3,6H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 205.18 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 106935124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).