N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide

C17H25N3O2S — CID 22201892

IUPACN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2C)c1C
InChIInChI=1S/C17H25N3O2S/c1-5-6-11-23(21,22)19-17-14(3)18-20(15(17)4)12-16-10-8-7-9-13(16)2/h7-10,19H,5-6,11-12H2,1-4H3
InChIKeyCZRUOXRMPKLTLF-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.40
Rot. Bonds7

About N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide (PubChem CID 22201892) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide
PubChem CID22201892
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2C)c1C
InChIInChI=1S/C17H25N3O2S/c1-5-6-11-23(21,22)19-17-14(3)18-20(15(17)4)12-16-10-8-7-9-13(16)2/h7-10,19H,5-6,11-12H2,1-4H3
InChIKeyCZRUOXRMPKLTLF-UHFFFAOYSA-N
XLogP3.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)butane-1-sulfonamide
CID 22202442
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 19577913
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanesulfonamide
CID 22206180
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzenesulfonamide
CID 22201863
N-[4-[(2-methylphenyl)methylamino]phenyl]butane-1-sulfonamide
CID 112982043
2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoacetic acid
CID 4774461
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22206182
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19262165
1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-phenylthiourea
CID 19342405
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 22202397
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481204
methyl 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanoate
CID 63272411

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide (CID 22201892) is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2C)c1C.
What is the InChIKey of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide?
The InChIKey is CZRUOXRMPKLTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-5-6-11-23(21,22)19-17-14(3)18-20(15(17)4)12-16-10-8-7-9-13(16)2/h7-10,19H,5-6,11-12H2,1-4H3.
What are the key properties of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide?
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 22201892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).