2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine

C11H11F3N4 — CID 113469850

IUPAC2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
SMILESNCCc1cncc(-n2cc(C(F)(F)F)cn2)c1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-5-17-18(7-9)10-3-8(1-2-15)4-16-6-10/h3-7H,1-2,15H2
InChIKeyNGLFNHWOEDNZCL-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.79
Rot. Bonds3

About 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine

2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine (PubChem CID 113469850) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
PubChem CID113469850
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
SMILESNCCc1cncc(-n2cc(C(F)(F)F)cn2)c1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)9-5-17-18(7-9)10-3-8(1-2-15)4-16-6-10/h3-7H,1-2,15H2
InChIKeyNGLFNHWOEDNZCL-UHFFFAOYSA-N
XLogP1.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
CID 105410763
N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 104535971
3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 115008941
3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride
CID 118798658
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
3-(trifluoromethyl)-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 82995990
3-fluoro-5-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 80752611
2-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 175751868
1-(4-ethyl-3-fluorophenyl)-4-(trifluoromethyl)pyrazole
CID 130252820
2-fluoro-4-[4-(trifluoromethyl)pyrazol-1-yl]phenol
CID 174706601
1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonyl chloride
CID 170968941
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine?
The IUPAC name of 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine (CID 113469850) is 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine is NCCc1cncc(-n2cc(C(F)(F)F)cn2)c1.
What is the InChIKey of 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine?
The InChIKey is NGLFNHWOEDNZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)9-5-17-18(7-9)10-3-8(1-2-15)4-16-6-10/h3-7H,1-2,15H2.
What are the key properties of 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine?
2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine has a molecular weight of 256.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine is sourced from PubChem (CID 113469850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).