(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine

C14H18FN3O — CID 105176507

IUPAC(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCCc1cc(C(N)c2cc(F)ccc2OC)n(C)n1
InChIInChI=1S/C14H18FN3O/c1-4-10-8-12(18(2)17-10)14(16)11-7-9(15)5-6-13(11)19-3/h5-8,14H,4,16H2,1-3H3
InChIKeyXXHBYIFXYFHCLB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.18
Rot. Bonds4

About (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine

(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 105176507) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID105176507
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCCc1cc(C(N)c2cc(F)ccc2OC)n(C)n1
InChIInChI=1S/C14H18FN3O/c1-4-10-8-12(18(2)17-10)14(16)11-7-9(15)5-6-13(11)19-3/h5-8,14H,4,16H2,1-3H3
InChIKeyXXHBYIFXYFHCLB-UHFFFAOYSA-N
XLogP2.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanamine
CID 105145725
(2-ethyl-5-methylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176567
(3-ethyl-1-methylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145412
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanol
CID 105093589
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 105176557
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine
CID 83987069
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
1-(2-bromo-5-fluorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999266
(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine
CID 105175242
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 105176507) is (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine is CCc1cc(C(N)c2cc(F)ccc2OC)n(C)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is XXHBYIFXYFHCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-10-8-12(18(2)17-10)14(16)11-7-9(15)5-6-13(11)19-3/h5-8,14H,4,16H2,1-3H3.
What are the key properties of (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine?
(3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 263.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-5-yl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 105176507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).