1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide

C21H23ClN4O2S — CID 90556137

IUPAC1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C21H23ClN4O2S/c22-17-7-5-6-16(12-17)15-29(27,28)24-14-18-13-21(20-10-3-4-11-23-20)26(25-18)19-8-1-2-9-19/h3-7,10-13,19,24H,1-2,8-9,14-15H2
InChIKeyUFWZOMYNYHIZDZ-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.33
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide

1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide (PubChem CID 90556137) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide
PubChem CID90556137
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC Name1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C21H23ClN4O2S/c22-17-7-5-6-16(12-17)15-29(27,28)24-14-18-13-21(20-10-3-4-11-23-20)26(25-18)19-8-1-2-9-19/h3-7,10-13,19,24H,1-2,8-9,14-15H2
InChIKeyUFWZOMYNYHIZDZ-UHFFFAOYSA-N
XLogP4.33
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide (CID 90556137) is 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The InChIKey is UFWZOMYNYHIZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c22-17-7-5-6-16(12-17)15-29(27,28)24-14-18-13-21(20-10-3-4-11-23-20)26(25-18)19-8-1-2-9-19/h3-7,10-13,19,24H,1-2,8-9,14-15H2.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide has a molecular weight of 430.96 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 90556137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).