1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine

C14H18FN3 — CID 114060527

IUPAC1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-c1cc(F)ccc1CNC
InChIInChI=1S/C14H18FN3/c1-4-14-13(9-18(3)17-14)12-7-11(15)6-5-10(12)8-16-2/h5-7,9,16H,4,8H2,1-3H3
InChIKeyASLIMRQHKOPBJX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine

1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 114060527) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine
PubChem CID114060527
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-c1cc(F)ccc1CNC
InChIInChI=1S/C14H18FN3/c1-4-14-13(9-18(3)17-14)12-7-11(15)6-5-10(12)8-16-2/h5-7,9,16H,4,8H2,1-3H3
InChIKeyASLIMRQHKOPBJX-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine
CID 66479456
N-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909034
1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
CID 106888835
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 112668229
3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
CID 104781283
N-[[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 66008721
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
CID 114060273
[4-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorophenyl]methanamine
CID 81442406
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 112670757
2-(2-bromo-5-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812202

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine (CID 114060527) is 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine is CCc1nn(C)cc1-c1cc(F)ccc1CNC.
What is the InChIKey of 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is ASLIMRQHKOPBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-14-13(9-18(3)17-14)12-7-11(15)6-5-10(12)8-16-2/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine?
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 114060527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).