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

C16H20N4O2 — CID 26614017

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(C)c1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-14(11(2)7-10)16(22)18-17-15(21)9-20-13(4)8-12(3)19-20/h5-8H,9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyJDCIOAKGCBUGQY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.58
Rot. Bonds3

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

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide (PubChem CID 26614017) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
PubChem CID26614017
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(C)c1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-14(11(2)7-10)16(22)18-17-15(21)9-20-13(4)8-12(3)19-20/h5-8H,9H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyJDCIOAKGCBUGQY-UHFFFAOYSA-N
XLogP1.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.58
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
2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide
CID 9425057
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-methylsulfonylbenzohydrazide
CID 4792234
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
N-[2-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 18280546
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(1,2,4-triazol-1-yl)benzohydrazide
CID 26782232
(2S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 9428621
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide
CID 32743558
1-benzyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazole-4-carbohydrazide
CID 29218613
2-cyclopropyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]quinoline-4-carbohydrazide
CID 9424886

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide (CID 26614017) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)Cn2nc(C)cc2C)c(C)c1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide?
The InChIKey is JDCIOAKGCBUGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-5-6-14(11(2)7-10)16(22)18-17-15(21)9-20-13(4)8-12(3)19-20/h5-8H,9H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide has a molecular weight of 300.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 26614017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).