N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide

C15H18N4O4S — CID 4792234

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N4O4S/c1-10-8-11(2)19(18-10)9-14(20)16-17-15(21)12-4-6-13(7-5-12)24(3,22)23/h4-8H,9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyGEYBBGSJKGBXFJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.36
Rot. Bonds4

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide (PubChem CID 4792234) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
PubChem CID4792234
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H18N4O4S/c1-10-8-11(2)19(18-10)9-14(20)16-17-15(21)12-4-6-13(7-5-12)24(3,22)23/h4-8H,9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyGEYBBGSJKGBXFJ-UHFFFAOYSA-N
XLogP0.36
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 26782232
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbohydrazide
CID 9424940
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
CID 9416563
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-5-methylsulfonylbenzoic acid
CID 119257653
N-[4-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 51195541
N'-(3-methylbutanoyl)-4-methylsulfonylbenzohydrazide
CID 41387558
N-[2-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 18280546

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide (CID 4792234) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide?
The InChIKey is GEYBBGSJKGBXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10-8-11(2)19(18-10)9-14(20)16-17-15(21)12-4-6-13(7-5-12)24(3,22)23/h4-8H,9H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide has a molecular weight of 350.40 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide is sourced from PubChem (CID 4792234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).