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

C11H11F3N4 — CID 114056524

IUPAC(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
SMILESC[C@@H](N)c1cccnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N4/c1-7(15)9-3-2-4-16-10(9)18-6-8(5-17-18)11(12,13)14/h2-7H,15H2,1H3/t7-/m1/s1
InChIKeyYHBZFUKTRBTHCG-SSDOTTSWSA-N
MW256.23 g/mol
LogP2.31
Rot. Bonds2

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

(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine (PubChem CID 114056524) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
PubChem CID114056524
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine
SMILESC[C@@H](N)c1cccnc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C11H11F3N4/c1-7(15)9-3-2-4-16-10(9)18-6-8(5-17-18)11(12,13)14/h2-7H,15H2,1H3/t7-/m1/s1
InChIKeyYHBZFUKTRBTHCG-SSDOTTSWSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 165477558
2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 175751887
3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-amine
CID 102988586
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
N,N-dimethyl-N'-[[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]methanimidamide
CID 175263598
5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80989495
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
ethane;4-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 145417662
(1S)-1-[2-(3-tert-butylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 114056368
2-methoxy-6-[4-(trifluoromethyl)pyrazol-1-yl]aniline
CID 113392793
[3-[(1S)-1-aminoethyl]-2-pyridinyl]methanol
CID 130671700

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine (CID 114056524) is (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine is C[C@@H](N)c1cccnc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine?
The InChIKey is YHBZFUKTRBTHCG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-7(15)9-3-2-4-16-10(9)18-6-8(5-17-18)11(12,13)14/h2-7H,15H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine?
(1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine has a molecular weight of 256.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).