N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide

C13H20ClN5O2S — CID 51853581

IUPACN-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCC[C@@H](CCNS(=O)(=O)c1cn(C)nc1C)n1cc(Cl)cn1
InChIInChI=1S/C13H20ClN5O2S/c1-4-12(19-8-11(14)7-15-19)5-6-16-22(20,21)13-9-18(3)17-10(13)2/h7-9,12,16H,4-6H2,1-3H3/t12-/m0/s1
InChIKeyXSMAYYHHKMTIJY-LBPRGKRZSA-N
MW345.86 g/mol
LogP1.90
Rot. Bonds7

About N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 51853581) has the molecular formula C13H20ClN5O2S and a molecular weight of 345.86 g/mol. Its IUPAC name is N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID51853581
Molecular FormulaC13H20ClN5O2S
Molecular Weight345.86 g/mol
Exact Mass345.10
IUPAC NameN-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCC[C@@H](CCNS(=O)(=O)c1cn(C)nc1C)n1cc(Cl)cn1
InChIInChI=1S/C13H20ClN5O2S/c1-4-12(19-8-11(14)7-15-19)5-6-16-22(20,21)13-9-18(3)17-10(13)2/h7-9,12,16H,4-6H2,1-3H3/t12-/m0/s1
InChIKeyXSMAYYHHKMTIJY-LBPRGKRZSA-N
XLogP1.90
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6468008
1-ethyl-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 22203950
1-((1,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-4-piperidinamine
CID 25247406
N-[3-(4-Chloro-1H-pyrazol-1-YL)-2-methylpropyl]-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19614898
N~4~-[3-(4-Chloro-1H-pyrazol-1-YL)-2-methylpropyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 19615053
1-((1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247405
N-[3-(dimethylamino)propyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 71780067
N-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)methyl]-1-ethyl-N-methyl-1H-pyrazole-4-sulfonamide
CID 19582889
N-[(3S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)butyl]-1-(difluoromethyl)pyrazole-4-sulfonamide
CID 51853600
1-(difluoromethyl)-3-methyl-N-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853676
N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-1-(difluoromethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19614382
1,5-dimethyl-N-{3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentyl}-1H-pyrazole-4-sulfonamide
CID 19614555

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 51853581) is N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide is CC[C@@H](CCNS(=O)(=O)c1cn(C)nc1C)n1cc(Cl)cn1.
What is the InChIKey of N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is XSMAYYHHKMTIJY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20ClN5O2S/c1-4-12(19-8-11(14)7-15-19)5-6-16-22(20,21)13-9-18(3)17-10(13)2/h7-9,12,16H,4-6H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(3S)-3-(4-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 345.86 g/mol, XLogP of 1.90, 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-chloropyrazol-1-yl)pentyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 51853581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).