1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine

C11H11F2N3 — CID 79485630

IUPAC1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn[nH]c1-c1c(F)cccc1F
InChIInChI=1S/C11H11F2N3/c1-14-5-7-6-15-16-11(7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3,(H,15,16)
InChIKeyHBRBZFPJHSNKGL-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.07
Rot. Bonds3

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

1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine (PubChem CID 79485630) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
PubChem CID79485630
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn[nH]c1-c1c(F)cccc1F
InChIInChI=1S/C11H11F2N3/c1-14-5-7-6-15-16-11(7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3,(H,15,16)
InChIKeyHBRBZFPJHSNKGL-UHFFFAOYSA-N
XLogP2.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine (CID 79485630) is 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine is CNCc1cn[nH]c1-c1c(F)cccc1F.
What is the InChIKey of 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is HBRBZFPJHSNKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-14-5-7-6-15-16-11(7)10-8(12)3-2-4-9(10)13/h2-4,6,14H,5H2,1H3,(H,15,16).
What are the key properties of 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine?
1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 223.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79485630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).