N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide

C18H24N4O2S — CID 86266606

IUPACN-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCn1nc(CN(C2CCCC2)S(=O)(=O)c2cccnc2)c2c1CCC2
InChIInChI=1S/C18H24N4O2S/c1-21-18-10-4-9-16(18)17(20-21)13-22(14-6-2-3-7-14)25(23,24)15-8-5-11-19-12-15/h5,8,11-12,14H,2-4,6-7,9-10,13H2,1H3
InChIKeyLVFDMBYTMYTQTE-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.44
Rot. Bonds5

About N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide

N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 86266606) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID86266606
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCn1nc(CN(C2CCCC2)S(=O)(=O)c2cccnc2)c2c1CCC2
InChIInChI=1S/C18H24N4O2S/c1-21-18-10-4-9-16(18)17(20-21)13-22(14-6-2-3-7-14)25(23,24)15-8-5-11-19-12-15/h5,8,11-12,14H,2-4,6-7,9-10,13H2,1H3
InChIKeyLVFDMBYTMYTQTE-UHFFFAOYSA-N
XLogP2.44
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
4-(3,4,5-Trimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355560
4-(4-Butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355561
4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 19355820
3-(2-Fluorophenyl)-5-methyl-2-pyridin-3-ylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168281560
1,3-dimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089490
1-ethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089857
1,5-dimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089959
2-[2-(1-Methylpyrazol-4-yl)sulfonyl-4-phenyl-3,4-dihydropyrazol-5-yl]pyridine
CID 118937507
2-((2,4-dimethyl-6-(trifluoromethyl)pyridin-3-yl)sulfonyl)-6-((1-methyl-1H-pyrazol-3-yl)methyl)-2,6-diazaspiro[3.3]heptane
CID 176276622
3-(4-(methylsulfonyl)phenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 45487442
2-(4-Fluorophenyl)-5-(3-pyridylsulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-A][1,4]diazepine
CID 53186380

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide (CID 86266606) is N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide is Cn1nc(CN(C2CCCC2)S(=O)(=O)c2cccnc2)c2c1CCC2.
What is the InChIKey of N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is LVFDMBYTMYTQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-21-18-10-4-9-16(18)17(20-21)13-22(14-6-2-3-7-14)25(23,24)15-8-5-11-19-12-15/h5,8,11-12,14H,2-4,6-7,9-10,13H2,1H3.
What are the key properties of N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide?
N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 86266606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).