1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine

C16H14ClFN4O2S — CID 68745279

IUPAC1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2cccnc2)n(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C16H14ClFN4O2S/c1-19-9-11-8-15(25(23,24)12-4-3-7-20-10-12)22(21-11)14-6-2-5-13(17)16(14)18/h2-8,10,19H,9H2,1H3
InChIKeyILODJRVRNIKEKT-UHFFFAOYSA-N
MW380.83 g/mol
LogP2.61
Rot. Bonds5

About 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine

1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine (PubChem CID 68745279) has the molecular formula C16H14ClFN4O2S and a molecular weight of 380.83 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
PubChem CID68745279
Molecular FormulaC16H14ClFN4O2S
Molecular Weight380.83 g/mol
Exact Mass380.05
IUPAC Name1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2cccnc2)n(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C16H14ClFN4O2S/c1-19-9-11-8-15(25(23,24)12-4-3-7-20-10-12)22(21-11)14-6-2-5-13(17)16(14)18/h2-8,10,19H,9H2,1H3
InChIKeyILODJRVRNIKEKT-UHFFFAOYSA-N
XLogP2.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine (CID 68745279) is 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)c2cccnc2)n(-c2cccc(Cl)c2F)n1.
What is the InChIKey of 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine?
The InChIKey is ILODJRVRNIKEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O2S/c1-19-9-11-8-15(25(23,24)12-4-3-7-20-10-12)22(21-11)14-6-2-5-13(17)16(14)18/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine?
1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine has a molecular weight of 380.83 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 68745279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).