(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine

C13H14F3N3O — CID 105047748

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3O/c1-3-19-13(9(20-2)6-18-19)12(17)7-4-5-8(14)11(16)10(7)15/h4-6,12H,3,17H2,1-2H3
InChIKeyLEWWBFRPQASCMH-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.38
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine

(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 105047748) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID105047748
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3O/c1-3-19-13(9(20-2)6-18-19)12(17)7-4-5-8(14)11(16)10(7)15/h4-6,12H,3,17H2,1-2H3
InChIKeyLEWWBFRPQASCMH-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105048161
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
CID 114658384
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
[2-(3,4-difluorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339497
3-(1-ethyl-4-methoxypyrazol-5-yl)-3-fluoropropan-1-amine
CID 114667945
(5-bromo-2-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634963

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine (CID 105047748) is (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine is CCn1ncc(OC)c1C(N)c1ccc(F)c(F)c1F.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is LEWWBFRPQASCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-3-19-13(9(20-2)6-18-19)12(17)7-4-5-8(14)11(16)10(7)15/h4-6,12H,3,17H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 285.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 105047748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).