N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide

C11H16N6O3S — CID 16780416

IUPACN-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)n(C)n1
InChIInChI=1S/C11H16N6O3S/c1-7-4-10(17(3)14-7)15-21(19,20)8-5-9(11(18)13-12)16(2)6-8/h4-6,15H,12H2,1-3H3,(H,13,18)
InChIKeyVYTLDGDBEJXAEW-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.53
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide

N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 16780416) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
PubChem CID16780416
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)n(C)n1
InChIInChI=1S/C11H16N6O3S/c1-7-4-10(17(3)14-7)15-21(19,20)8-5-9(11(18)13-12)16(2)6-8/h4-6,15H,12H2,1-3H3,(H,13,18)
InChIKeyVYTLDGDBEJXAEW-UHFFFAOYSA-N
XLogP-0.53
TPSA124.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16779951
N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780731
5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
CID 16780167
N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide
CID 43318275
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62142994
6-amino-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 62143351
5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-hydroxybenzoic acid
CID 29042030
3-amino-4-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 29030763
5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2-iodobenzoic acid
CID 103962212
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
5,6-dichloro-N-(2,5-dimethylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64625172

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide (CID 16780416) is N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide is Cc1cc(NS(=O)(=O)c2cc(C(=O)NN)n(C)c2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is VYTLDGDBEJXAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-7-4-10(17(3)14-7)15-21(19,20)8-5-9(11(18)13-12)16(2)6-8/h4-6,15H,12H2,1-3H3,(H,13,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide?
N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 312.36 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 16780416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).