N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide

C13H18N4O2S — CID 61273424

IUPACN-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C13H18N4O2S/c1-10-13(8-14-15-10)20(18,19)16-12-6-4-5-11(7-12)9-17(2)3/h4-8,16H,9H2,1-3H3,(H,14,15)
InChIKeyQAUNYUNEQMMOCR-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.58
Rot. Bonds5

About N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61273424) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61273424
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C13H18N4O2S/c1-10-13(8-14-15-10)20(18,19)16-12-6-4-5-11(7-12)9-17(2)3/h4-8,16H,9H2,1-3H3,(H,14,15)
InChIKeyQAUNYUNEQMMOCR-UHFFFAOYSA-N
XLogP1.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 154848350
3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 54930241
5-methyl-N-(3-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61273624
2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide
CID 61053276
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 140565096
[3-[(dimethylamino)methyl]phenyl]sulfamic acid
CID 123946083
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929716
4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
CID 45137889
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
5-methyl-N-(4-pentylphenyl)-1H-pyrazole-4-sulfonamide
CID 61249293

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 61273424) is N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cccc(CN(C)C)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QAUNYUNEQMMOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-13(8-14-15-10)20(18,19)16-12-6-4-5-11(7-12)9-17(2)3/h4-8,16H,9H2,1-3H3,(H,14,15).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61273424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).