1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide

C17H21N5O2S — CID 22205086

IUPAC1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnn(Cc3ccc(C)cc3)c2)c(C)n1
InChIInChI=1S/C17H21N5O2S/c1-4-21-12-17(14(3)19-21)25(23,24)20-16-9-18-22(11-16)10-15-7-5-13(2)6-8-15/h5-9,11-12,20H,4,10H2,1-3H3
InChIKeyXIBPUIQBTBXSQY-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.57
Rot. Bonds6

About 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide

1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide (PubChem CID 22205086) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
PubChem CID22205086
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnn(Cc3ccc(C)cc3)c2)c(C)n1
InChIInChI=1S/C17H21N5O2S/c1-4-21-12-17(14(3)19-21)25(23,24)20-16-9-18-22(11-16)10-15-7-5-13(2)6-8-15/h5-9,11-12,20H,4,10H2,1-3H3
InChIKeyXIBPUIQBTBXSQY-UHFFFAOYSA-N
XLogP2.57
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-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

1-ethyl-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 22205282
3,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-4-sulfonamide
CID 4776140
1-ethyl-3-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 22773641
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
1-benzyl-N-(3,5-dimethylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283073
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22201853
1-ethyl-3-methyl-N-(1,2-thiazol-4-yl)pyrazole-4-sulfonamide
CID 167880156
1-ethyl-N-(4-methoxyphenyl)-3-methylpyrazole-4-sulfonamide
CID 22774028
N-(3,4-difluorophenyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22773467
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
1-benzyl-N-(4-butylphenyl)-3-methylpyrazole-4-sulfonamide
CID 42283031

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide (CID 22205086) is 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cnn(Cc3ccc(C)cc3)c2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide?
The InChIKey is XIBPUIQBTBXSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-4-21-12-17(14(3)19-21)25(23,24)20-16-9-18-22(11-16)10-15-7-5-13(2)6-8-15/h5-9,11-12,20H,4,10H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide has a molecular weight of 359.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22205086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).