N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

C16H26ClN5O2S — CID 51853456

IUPACN-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCC[C@H](C)n2nc(C)c(Cl)c2C)c1C
InChIInChI=1S/C16H26ClN5O2S/c1-7-21-14(6)16(12(4)19-21)25(23,24)18-9-8-10(2)22-13(5)15(17)11(3)20-22/h10,18H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyPNZPUEVRBYHMPG-JTQLQIEISA-N
MW387.94 g/mol
LogP2.92
Rot. Bonds7

About N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 51853456) has the molecular formula C16H26ClN5O2S and a molecular weight of 387.94 g/mol. Its IUPAC name is N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID51853456
Molecular FormulaC16H26ClN5O2S
Molecular Weight387.94 g/mol
Exact Mass387.15
IUPAC NameN-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCC[C@H](C)n2nc(C)c(Cl)c2C)c1C
InChIInChI=1S/C16H26ClN5O2S/c1-7-21-14(6)16(12(4)19-21)25(23,24)18-9-8-10(2)22-13(5)15(17)11(3)20-22/h10,18H,7-9H2,1-6H3/t10-/m0/s1
InChIKeyPNZPUEVRBYHMPG-JTQLQIEISA-N
XLogP2.92
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 51853446
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62447512
ethyl (2R)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanoate
CID 96997249
1-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)butyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 19614973
1-ethyl-3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 71974663
N-[2-(ethylamino)ethyl]-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide;hydrochloride
CID 120708800
3-[4-(3-hydroxybutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanoic acid
CID 64927715
1-ethyl-3,5-dimethyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 19614444
N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 75433919
1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 71688195
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122252847
1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 71688206

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide (CID 51853456) is N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCC[C@H](C)n2nc(C)c(Cl)c2C)c1C.
What is the InChIKey of N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is PNZPUEVRBYHMPG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H26ClN5O2S/c1-7-21-14(6)16(12(4)19-21)25(23,24)18-9-8-10(2)22-13(5)15(17)11(3)20-22/h10,18H,7-9H2,1-6H3/t10-/m0/s1.
What are the key properties of N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide?
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 387.94 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51853456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).