N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C13H20ClN5O2S — CID 29096148

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCCn1cc(Cl)c(CN(C)S(=O)(=O)c2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H20ClN5O2S/c1-6-19-7-11(14)12(16-19)8-17(4)22(20,21)13-9(2)15-18(5)10(13)3/h7H,6,8H2,1-5H3
InChIKeyDUVKIUKQUQZCPR-UHFFFAOYSA-N
MW345.86 g/mol
LogP1.73
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 29096148) has the molecular formula C13H20ClN5O2S and a molecular weight of 345.86 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID29096148
Molecular FormulaC13H20ClN5O2S
Molecular Weight345.86 g/mol
Exact Mass345.10
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCCn1cc(Cl)c(CN(C)S(=O)(=O)c2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H20ClN5O2S/c1-6-19-7-11(14)12(16-19)8-17(4)22(20,21)13-9(2)15-18(5)10(13)3/h7H,6,8H2,1-5H3
InChIKeyDUVKIUKQUQZCPR-UHFFFAOYSA-N
XLogP1.73
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dichloro-1-methylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 44822193
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 44822188
4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278138
N-[(4-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 62061376
N-(1H-imidazol-2-ylmethyl)-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 64519581
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 19477826
N-[(3-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 62064016
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 55434480
5-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 55731451
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 19916035
2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 151990254

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 29096148) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is CCn1cc(Cl)c(CN(C)S(=O)(=O)c2c(C)nn(C)c2C)n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is DUVKIUKQUQZCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2S/c1-6-19-7-11(14)12(16-19)8-17(4)22(20,21)13-9(2)15-18(5)10(13)3/h7H,6,8H2,1-5H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 345.86 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29096148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).