1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine

C17H17ClN4O2S — CID 25234877

IUPAC1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccc(C)nc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H17ClN4O2S/c1-12-7-8-14(11-20-12)25(23,24)17-9-13(10-19-2)21-22(17)16-6-4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3
InChIKeyFAYCVGRAXJOORW-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.78
Rot. Bonds5

About 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine

1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 25234877) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine
PubChem CID25234877
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(S(=O)(=O)c2ccc(C)nc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H17ClN4O2S/c1-12-7-8-14(11-20-12)25(23,24)17-9-13(10-19-2)21-22(17)16-6-4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3
InChIKeyFAYCVGRAXJOORW-UHFFFAOYSA-N
XLogP2.78
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine (CID 25234877) is 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(S(=O)(=O)c2ccc(C)nc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is FAYCVGRAXJOORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-12-7-8-14(11-20-12)25(23,24)17-9-13(10-19-2)21-22(17)16-6-4-3-5-15(16)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine?
1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 376.87 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 25234877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).