N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide

C17H20ClN5O2S — CID 22201802

IUPACN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN5O2S/c1-11-9-16(20-23(11)10-14-5-7-15(18)8-6-14)21-26(24,25)17-12(2)19-22(4)13(17)3/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeySQRFYVQHPDDTCB-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.04
Rot. Bonds5

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

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22201802) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22201802
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H20ClN5O2S/c1-11-9-16(20-23(11)10-14-5-7-15(18)8-6-14)21-26(24,25)17-12(2)19-22(4)13(17)3/h5-9H,10H2,1-4H3,(H,20,21)
InChIKeySQRFYVQHPDDTCB-UHFFFAOYSA-N
XLogP3.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-trichloro-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzenesulfonamide
CID 22201809
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 22201773
N-(5-chloro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062450
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide
CID 22201794
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22201790
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22772007
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201978
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823497
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22201802) is N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is SQRFYVQHPDDTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2S/c1-11-9-16(20-23(11)10-14-5-7-15(18)8-6-14)21-26(24,25)17-12(2)19-22(4)13(17)3/h5-9H,10H2,1-4H3,(H,20,21).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 393.90 g/mol, XLogP of 3.04, 5 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]-5-methylpyrazol-3-yl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22201802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).