1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

C14H18FN3 — CID 81276228

IUPAC1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1ccc(F)cc1C
InChIInChI=1S/C14H18FN3/c1-4-18-13(7-8-17-18)14(16-3)12-6-5-11(15)9-10(12)2/h5-9,14,16H,4H2,1-3H3
InChIKeyMOCHAUQBEOVJPB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine

1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 81276228) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID81276228
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCCn1nccc1C(NC)c1ccc(F)cc1C
InChIInChI=1S/C14H18FN3/c1-4-18-13(7-8-17-18)14(16-3)12-6-5-11(15)9-10(12)2/h5-9,14,16H,4H2,1-3H3
InChIKeyMOCHAUQBEOVJPB-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 81279266
(2-ethylpyrazol-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63976113
1-(2-ethylpyrazol-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115858049
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063
1-(2-chloro-3-methylphenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857986
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 105148320
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962440
1-(1,3-diethylpyrazol-5-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142360
1-(2-ethylpyrazol-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115858110
[(1,3-diethylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302457

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine (CID 81276228) is 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is CCn1nccc1C(NC)c1ccc(F)cc1C.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is MOCHAUQBEOVJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-18-13(7-8-17-18)14(16-3)12-6-5-11(15)9-10(12)2/h5-9,14,16H,4H2,1-3H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81276228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).