1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C11H18F3N3O — CID 65197386

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nn(C)cc1C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8(10-6-17(3)16-9(10)2)15-4-5-18-7-11(12,13)14/h6,8,15H,4-5,7H2,1-3H3
InChIKeyJWEIHXCMDQWBSQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.96
Rot. Bonds6

About 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 65197386) has the molecular formula C11H18F3N3O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID65197386
Molecular FormulaC11H18F3N3O
Molecular Weight265.28 g/mol
Exact Mass265.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nn(C)cc1C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H18F3N3O/c1-8(10-6-17(3)16-9(10)2)15-4-5-18-7-11(12,13)14/h6,8,15H,4-5,7H2,1-3H3
InChIKeyJWEIHXCMDQWBSQ-UHFFFAOYSA-N
XLogP1.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.96
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-(1-ethyl-5-methyl-1H-pyrazol-4-yl)ethanamine
CID 17024698
(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
N-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 46986896
1-(2,2-Difluoroethyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyethyl)urea
CID 56825755
1-(2,2-difluoroethyl)-3-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(2-methoxyethyl)urea
CID 95572691
(1R)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 59544169
1-[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544184
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544188
(1S)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 59544192
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine;dihydrochloride
CID 67182181
1-(5-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)ethanamine dihydrochloride
CID 67183212
1-[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 72322386

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 65197386) is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is Cc1nn(C)cc1C(C)NCCOCC(F)(F)F.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is JWEIHXCMDQWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O/c1-8(10-6-17(3)16-9(10)2)15-4-5-18-7-11(12,13)14/h6,8,15H,4-5,7H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 65197386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).