2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide

C15H17ClN4O2S — CID 26614007

IUPAC2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
SMILESCSc1ccc(Cl)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1
InChIInChI=1S/C15H17ClN4O2S/c1-9-6-10(2)20(19-9)8-14(21)17-18-15(22)12-7-11(23-3)4-5-13(12)16/h4-7H,8H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyHFGCCVQVZOFTNR-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.34
Rot. Bonds4

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

2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide (PubChem CID 26614007) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
PubChem CID26614007
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
SMILESCSc1ccc(Cl)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1
InChIInChI=1S/C15H17ClN4O2S/c1-9-6-10(2)20(19-9)8-14(21)17-18-15(22)12-7-11(23-3)4-5-13(12)16/h4-7H,8H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyHFGCCVQVZOFTNR-UHFFFAOYSA-N
XLogP2.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide
CID 9425057
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide
CID 40724091
1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide
CID 29218613
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 26782232
3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 34390205
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 9428621
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
CID 4792234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide (CID 26614007) is 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide is CSc1ccc(Cl)c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1.
What is the InChIKey of 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide?
The InChIKey is HFGCCVQVZOFTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-9-6-10(2)20(19-9)8-14(21)17-18-15(22)12-7-11(23-3)4-5-13(12)16/h4-7H,8H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide?
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide has a molecular weight of 352.85 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide is sourced from PubChem (CID 26614007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).