1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine

C14H18FN3 — CID 102812002

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCCc1nn(C)cc1C(NC)c1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-4-13-12(9-18(3)17-13)14(16-2)10-6-5-7-11(15)8-10/h5-9,14,16H,4H2,1-3H3
InChIKeyDNIXXCDATQNBJB-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 102812002) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID102812002
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCCc1nn(C)cc1C(NC)c1cccc(F)c1
InChIInChI=1S/C14H18FN3/c1-4-13-12(9-18(3)17-13)14(16-2)10-6-5-7-11(15)8-10/h5-9,14,16H,4H2,1-3H3
InChIKeyDNIXXCDATQNBJB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 102812685
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 102812318
1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102812258
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812202
N-[(2,5-difluorophenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 102812310
[(3-ethyl-1-methylpyrazol-4-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131050
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 115990096
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
CID 112671170
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 102812296
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 102812002) is 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine is CCc1nn(C)cc1C(NC)c1cccc(F)c1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is DNIXXCDATQNBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-13-12(9-18(3)17-13)14(16-2)10-6-5-7-11(15)8-10/h5-9,14,16H,4H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 102812002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).