N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide

C16H18ClN5O2S — CID 17022917

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1C
InChIInChI=1S/C16H18ClN5O2S/c1-3-22-12(2)15(10-18-22)25(23,24)20-16-8-9-21(19-16)11-13-4-6-14(17)7-5-13/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyAVMUDHLCGQPGGH-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.91
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 17022917) has the molecular formula C16H18ClN5O2S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID17022917
Molecular FormulaC16H18ClN5O2S
Molecular Weight379.87 g/mol
Exact Mass379.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1C
InChIInChI=1S/C16H18ClN5O2S/c1-3-22-12(2)15(10-18-22)25(23,24)20-16-8-9-21(19-16)11-13-4-6-14(17)7-5-13/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyAVMUDHLCGQPGGH-UHFFFAOYSA-N
XLogP2.91
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280663
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022679
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22207203
2,5-difluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201923
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22206459
4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]quinoline-8-sulfonamide
CID 22201715
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201711

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 17022917) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1C.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is AVMUDHLCGQPGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2S/c1-3-22-12(2)15(10-18-22)25(23,24)20-16-8-9-21(19-16)11-13-4-6-14(17)7-5-13/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 379.87 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 17022917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).