1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine

C13H15F2N3 — CID 114934340

IUPAC1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2c(F)cccc2F)c1C
InChIInChI=1S/C13H15F2N3/c1-9-10(6-16-2)7-17-18(9)8-11-12(14)4-3-5-13(11)15/h3-5,7,16H,6,8H2,1-2H3
InChIKeyYIXPBJFFZUCURY-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.24
Rot. Bonds4

About 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine

1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 114934340) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine
PubChem CID114934340
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2c(F)cccc2F)c1C
InChIInChI=1S/C13H15F2N3/c1-9-10(6-16-2)7-17-18(9)8-11-12(14)4-3-5-13(11)15/h3-5,7,16H,6,8H2,1-2H3
InChIKeyYIXPBJFFZUCURY-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266
1-[1-[(2,6-difluorophenyl)methyl]indazol-3-yl]-N-methylmethanamine
CID 114934339
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050327
N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 114930880
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 114933991
N-[[1-[(3-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 102861828
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79485630
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-methylpyrazol-4-yl]-N-methylmethanamine
CID 113289386
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine (CID 114934340) is 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(Cc2c(F)cccc2F)c1C.
What is the InChIKey of 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is YIXPBJFFZUCURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9-10(6-16-2)7-17-18(9)8-11-12(14)4-3-5-13(11)15/h3-5,7,16H,6,8H2,1-2H3.
What are the key properties of 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine?
1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 251.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-difluorophenyl)methyl]-5-methylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 114934340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).