(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine

C14H18FN3O — CID 114659168

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1cc(C)cc(F)c1
InChIInChI=1S/C14H18FN3O/c1-4-18-14(12(19-3)8-17-18)13(16)10-5-9(2)6-11(15)7-10/h5-8,13H,4,16H2,1-3H3
InChIKeyHIOBSZMMXQWWLK-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.41
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine

(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine (PubChem CID 114659168) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
PubChem CID114659168
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1cc(C)cc(F)c1
InChIInChI=1S/C14H18FN3O/c1-4-18-14(12(19-3)8-17-18)13(16)10-5-9(2)6-11(15)7-10/h5-8,13H,4,16H2,1-3H3
InChIKeyHIOBSZMMXQWWLK-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659181
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(3-bromo-4-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114660068
(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105186704
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105186639
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105130169

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine (CID 114659168) is (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine is CCn1ncc(OC)c1C(N)c1cc(C)cc(F)c1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
The InChIKey is HIOBSZMMXQWWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-4-18-14(12(19-3)8-17-18)13(16)10-5-9(2)6-11(15)7-10/h5-8,13H,4,16H2,1-3H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine has a molecular weight of 263.32 g/mol, XLogP of 2.41, 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)-(3-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 114659168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).