2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

C12H14FN3 — CID 43663705

IUPAC2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1ccc(F)c(NCc2cn[nH]c2C)c1
InChIInChI=1S/C12H14FN3/c1-8-3-4-11(13)12(5-8)14-6-10-7-15-16-9(10)2/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyMLAXWZMGJINRDE-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.78
Rot. Bonds3

About 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline

2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (PubChem CID 43663705) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
PubChem CID43663705
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
SMILESCc1ccc(F)c(NCc2cn[nH]c2C)c1
InChIInChI=1S/C12H14FN3/c1-8-3-4-11(13)12(5-8)14-6-10-7-15-16-9(10)2/h3-5,7,14H,6H2,1-2H3,(H,15,16)
InChIKeyMLAXWZMGJINRDE-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43717698
1-(2-fluoro-5-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 103699779
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
4-fluoro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 79768914
3-bromo-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 115909467
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760447
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663563
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline (CID 43663705) is 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is Cc1ccc(F)c(NCc2cn[nH]c2C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
The InChIKey is MLAXWZMGJINRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-3-4-11(13)12(5-8)14-6-10-7-15-16-9(10)2/h3-5,7,14H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline?
2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline has a molecular weight of 219.26 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 43663705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).