(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine

C12H13F3N4 — CID 105148490

IUPAC(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCCn1nccc1C(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N4/c1-2-19-10(5-6-18-19)11(16)9-4-3-8(7-17-9)12(13,14)15/h3-7,11H,2,16H2,1H3
InChIKeyXNQBPBWGQCHNLD-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.36
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine

(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 105148490) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID105148490
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCCn1nccc1C(N)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N4/c1-2-19-10(5-6-18-19)11(16)9-4-3-8(7-17-9)12(13,14)15/h3-7,11H,2,16H2,1H3
InChIKeyXNQBPBWGQCHNLD-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-propylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148214
1-(2-ethylpyrazol-3-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148286
[(3-ethyltriazol-4-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 114213659
(3,4-dichlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105077091
(3-chloro-4-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 107561604
2-(1-ethylpyrazol-4-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105115043
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pentan-1-amine
CID 105176912
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250266
(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine
CID 63976398
4,4,4-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105156496
1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 105148490) is (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine is CCn1nccc1C(N)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is XNQBPBWGQCHNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-2-19-10(5-6-18-19)11(16)9-4-3-8(7-17-9)12(13,14)15/h3-7,11H,2,16H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine?
(2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 270.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 105148490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).