[1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine

C14H19N5O2S — CID 58243541

IUPAC[1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine
SMILESCc1ccc(S(=O)(=O)n2ncc3c2CCN(CNN)C3)cc1
InChIInChI=1S/C14H19N5O2S/c1-11-2-4-13(5-3-11)22(20,21)19-14-6-7-18(10-16-15)9-12(14)8-17-19/h2-5,8,16H,6-7,9-10,15H2,1H3
InChIKeyDXOUUKXLPZZVFP-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.21
Rot. Bonds4

About [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine

[1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine (PubChem CID 58243541) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine
PubChem CID58243541
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name[1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine
SMILESCc1ccc(S(=O)(=O)n2ncc3c2CCN(CNN)C3)cc1
InChIInChI=1S/C14H19N5O2S/c1-11-2-4-13(5-3-11)22(20,21)19-14-6-7-18(10-16-15)9-12(14)8-17-19/h2-5,8,16H,6-7,9-10,15H2,1H3
InChIKeyDXOUUKXLPZZVFP-UHFFFAOYSA-N
XLogP0.21
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-ethyl-1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboximidothioate
CID 67024388
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621137
4-benzyl-1-(4-methylphenyl)sulfonylpyrazole-5-carboxylic acid
CID 20623727
5-fluoro-1-(4-methylphenyl)sulfonylindazole
CID 132915435
4-iodo-1-(4-methylphenyl)sulfonyl-5-(4-phenylphenyl)pyrazole
CID 164680523
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
4-fluoro-5-methyl-1-(4-methylphenyl)sulfonylindazole
CID 133058893
4-methylbenzenesulfonohydrazide
CID 15303
N-(2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 7026017
N-[2-[3,9-bis-(4-methylphenyl)sulfonyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]ethyl]-4-methylbenzenesulfonamide
CID 71652391

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine?
The IUPAC name of [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine (CID 58243541) is [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine.
What is the SMILES notation for [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine?
The canonical SMILES for [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine is Cc1ccc(S(=O)(=O)n2ncc3c2CCN(CNN)C3)cc1.
What is the InChIKey of [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine?
The InChIKey is DXOUUKXLPZZVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-2-4-13(5-3-11)22(20,21)19-14-6-7-18(10-16-15)9-12(14)8-17-19/h2-5,8,16H,6-7,9-10,15H2,1H3.
What are the key properties of [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine?
[1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine has a molecular weight of 321.41 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methylhydrazine is sourced from PubChem (CID 58243541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).