5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine

C11H10BrF3N4 — CID 106795976

IUPAC5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCCn1cc(Nc2ncc(Br)cc2C(F)(F)F)cn1
InChIInChI=1S/C11H10BrF3N4/c1-2-19-6-8(5-17-19)18-10-9(11(13,14)15)3-7(12)4-16-10/h3-6H,2H2,1H3,(H,16,18)
InChIKeyFTRDTOZNYDZZCU-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.82
Rot. Bonds3

About 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106795976) has the molecular formula C11H10BrF3N4 and a molecular weight of 335.13 g/mol. Its IUPAC name is 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106795976
Molecular FormulaC11H10BrF3N4
Molecular Weight335.13 g/mol
Exact Mass334.00
IUPAC Name5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCCn1cc(Nc2ncc(Br)cc2C(F)(F)F)cn1
InChIInChI=1S/C11H10BrF3N4/c1-2-19-6-8(5-17-19)18-10-9(11(13,14)15)3-7(12)4-16-10/h3-6H,2H2,1H3,(H,16,18)
InChIKeyFTRDTOZNYDZZCU-UHFFFAOYSA-N
XLogP3.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-4-yl)-3,5-difluoropyridin-2-amine
CID 112675617
N-(1-ethylpyrazol-4-yl)-3-fluoropyridin-2-amine
CID 62732475
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-N-(2,2-dimethylheptyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796286
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438375
5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
1-ethyl-N-(1-ethylpyrazol-4-yl)imidazol-2-amine
CID 62137131
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N',N'-diethylpropane-1,3-diamine
CID 106795932
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
CID 106797276
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 106795976) is 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine is CCn1cc(Nc2ncc(Br)cc2C(F)(F)F)cn1.
What is the InChIKey of 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FTRDTOZNYDZZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4/c1-2-19-6-8(5-17-19)18-10-9(11(13,14)15)3-7(12)4-16-10/h3-6H,2H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 335.13 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106795976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).