1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine

C11H12FN3 — CID 83882394

IUPAC1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1ccnn1-c1ccccc1F
InChIInChI=1S/C11H12FN3/c1-13-8-9-6-7-14-15(9)11-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3
InChIKeyKSHIXQJXYGCVNP-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.73
Rot. Bonds3

About 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine

1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 83882394) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID83882394
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1ccnn1-c1ccccc1F
InChIInChI=1S/C11H12FN3/c1-13-8-9-6-7-14-15(9)11-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3
InChIKeyKSHIXQJXYGCVNP-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66441478
N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 83881004
1-(2-fluorophenyl)-5-(2-methoxyphenyl)pyrazole
CID 15956824
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
1-[4-fluoro-3-(2-phenylpyrazol-3-yl)phenyl]-N-methylmethanamine
CID 107331058
1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
CID 25234875
2-[2-(2-fluorophenyl)pyrazol-3-yl]phenol
CID 135465517
2-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82078555
4-chloro-1-(2-fluorophenyl)-N-methylpyrazol-5-amine
CID 83892346
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751388
1-(2-fluorophenyl)-4,5-dimethylpyrazole
CID 21033985
N-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine (CID 83882394) is 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine is CNCc1ccnn1-c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is KSHIXQJXYGCVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-13-8-9-6-7-14-15(9)11-5-3-2-4-10(11)12/h2-7,13H,8H2,1H3.
What are the key properties of 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine?
1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 205.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83882394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).