N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine

C11H16F3N3O — CID 55110591

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCn1cc(CNC2CC2)cn1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-18-4-3-17-7-9(6-16-17)5-15-10-1-2-10/h6-7,10,15H,1-5,8H2
InChIKeyWWOAHSYKXOLPID-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.71
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 55110591) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID55110591
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCn1cc(CNC2CC2)cn1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-18-4-3-17-7-9(6-16-17)5-15-10-1-2-10/h6-7,10,15H,1-5,8H2
InChIKeyWWOAHSYKXOLPID-UHFFFAOYSA-N
XLogP1.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methoxyethyl)-1H-pyrazol-4-yl]methanamine
CID 62729144
(2-methoxyethyl)[(1-methyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride
CID 165994202
3-pyrazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-2-amine
CID 72043621
4-Methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]pyrazole
CID 72141397
1-(2,2-Difluoroethyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
CID 100725546
(2S)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-methylpropanenitrile
CID 164632364
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]amine
CID 25218861
Ethyl 2-(4-fluoro-1H-pyrazol-1-yl)propanimidate
CID 117966308
Ethyl 1-(4-fluoro-1H-pyrazol-1-yl)cyclopropanecarbimidate
CID 117966480
4-Methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole
CID 122581319
4-Methyl-1-(1,1,1-trifluoro-3-methoxypropan-2-yl)pyrazole
CID 131995053
1-[2-(Difluoromethoxy)ethyl]-4-methylpyrazole
CID 156748151

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine (CID 55110591) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine is FC(F)(F)COCCn1cc(CNC2CC2)cn1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WWOAHSYKXOLPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)8-18-4-3-17-7-9(6-16-17)5-15-10-1-2-10/h6-7,10,15H,1-5,8H2.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 263.26 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55110591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).