3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide

C14H14Cl2N4O2 — CID 26613962

IUPAC3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N4O2/c1-8-3-9(2)20(19-8)7-13(21)17-18-14(22)10-4-11(15)6-12(16)5-10/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyCEHOLGQOQJNDRJ-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.27
Rot. Bonds3

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

3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide (PubChem CID 26613962) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
PubChem CID26613962
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H14Cl2N4O2/c1-8-3-9(2)20(19-8)7-13(21)17-18-14(22)10-4-11(15)6-12(16)5-10/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyCEHOLGQOQJNDRJ-UHFFFAOYSA-N
XLogP2.27
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
CID 4792234
3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 34390205
3-chloro-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 81369984
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 26782232
(E)-3-(3,4-dichlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]prop-2-enehydrazide
CID 40724091
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide?
The IUPAC name of 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide (CID 26613962) is 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide?
The InChIKey is CEHOLGQOQJNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c1-8-3-9(2)20(19-8)7-13(21)17-18-14(22)10-4-11(15)6-12(16)5-10/h3-6H,7H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide?
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide has a molecular weight of 341.20 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 26613962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).