2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

C10H16F3N3 — CID 43755117

IUPAC2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCC(C)c1nn(C)cc1CNCC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-7(2)9-8(5-16(3)15-9)4-14-6-10(11,12)13/h5,7,14H,4,6H2,1-3H3
InChIKeyFKZZGVIWMLMTDP-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.20
Rot. Bonds4

About 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 43755117) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID43755117
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
SMILESCC(C)c1nn(C)cc1CNCC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-7(2)9-8(5-16(3)15-9)4-14-6-10(11,12)13/h5,7,14H,4,6H2,1-3H3
InChIKeyFKZZGVIWMLMTDP-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2,2-tetramethyl-N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 43758950
2,2-dimethyl-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propanenitrile
CID 104587141
2-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702126
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
4,4-dimethyl-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-1-ol
CID 75441181
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353474
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine (CID 43755117) is 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is CC(C)c1nn(C)cc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is FKZZGVIWMLMTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-7(2)9-8(5-16(3)15-9)4-14-6-10(11,12)13/h5,7,14H,4,6H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 235.25 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43755117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).