1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine

C12H14FN3 — CID 54850927

IUPAC1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(-c2ccccc2F)n[nH]c1C
InChIInChI=1S/C12H14FN3/c1-8-10(7-14-2)12(16-15-8)9-5-3-4-6-11(9)13/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeyDYSCFNUDHJIJNF-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.24
Rot. Bonds3

About 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine

1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine (PubChem CID 54850927) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
PubChem CID54850927
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(-c2ccccc2F)n[nH]c1C
InChIInChI=1S/C12H14FN3/c1-8-10(7-14-2)12(16-15-8)9-5-3-4-6-11(9)13/h3-6,14H,7H2,1-2H3,(H,15,16)
InChIKeyDYSCFNUDHJIJNF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methyl]ethanamine
CID 54850928
[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850882
N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine
CID 54851114
1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 121212654
3-(2-fluorophenyl)-4-methyl-1H-pyridazin-6-one
CID 112679302
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 84682667
4-ethyl-6-[4-(2-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
CID 135567427
1-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 54851004
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine
CID 112679329
5-(2-fluorophenyl)-N-methyl-1H-pyrazol-3-amine
CID 63048813
4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82472519

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine (CID 54850927) is 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine is CNCc1c(-c2ccccc2F)n[nH]c1C.
What is the InChIKey of 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is DYSCFNUDHJIJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-10(7-14-2)12(16-15-8)9-5-3-4-6-11(9)13/h3-6,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine?
1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 54850927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).