N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C13H20ClN5O2S — CID 22207448

IUPACN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCCn1ncc(Cl)c1C
InChIInChI=1S/C13H20ClN5O2S/c1-9-13(11(3)18(4)17-9)22(20,21)16-6-5-7-19-10(2)12(14)8-15-19/h8,16H,5-7H2,1-4H3
InChIKeyMQTKPDOHBBMHPO-UHFFFAOYSA-N
MW345.86 g/mol
LogP1.56
Rot. Bonds6

About N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22207448) has the molecular formula C13H20ClN5O2S and a molecular weight of 345.86 g/mol. Its IUPAC name is N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22207448
Molecular FormulaC13H20ClN5O2S
Molecular Weight345.86 g/mol
Exact Mass345.10
IUPAC NameN-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCCn1ncc(Cl)c1C
InChIInChI=1S/C13H20ClN5O2S/c1-9-13(11(3)18(4)17-9)22(20,21)16-6-5-7-19-10(2)12(14)8-15-19/h8,16H,5-7H2,1-4H3
InChIKeyMQTKPDOHBBMHPO-UHFFFAOYSA-N
XLogP1.56
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22207441
4-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207456
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethylbenzenesulfonamide
CID 22207421
5-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207436
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 22207416
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207435
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-difluorobenzenesulfonamide
CID 22207431
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-[4-[3-(4-chloro-5-methylpyrazol-1-yl)propylsulfamoyl]phenyl]acetamide
CID 22207442
1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
CID 22207674
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-3,4-dimethoxybenzenesulfonamide
CID 22207426
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2-nitrobenzenesulfonamide
CID 22207434

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22207448) is N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCCn1ncc(Cl)c1C.
What is the InChIKey of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is MQTKPDOHBBMHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2S/c1-9-13(11(3)18(4)17-9)22(20,21)16-6-5-7-19-10(2)12(14)8-15-19/h8,16H,5-7H2,1-4H3.
What are the key properties of N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 345.86 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22207448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).