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

C16H19ClN4O2 — CID 34390205

IUPAC3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-12(2)21(20-11)10-16(23)19-18-15(22)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyBZVLQMWIIKKECL-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.93
Rot. Bonds5

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

3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide (PubChem CID 34390205) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
PubChem CID34390205
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-12(2)21(20-11)10-16(23)19-18-15(22)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyBZVLQMWIIKKECL-UHFFFAOYSA-N
XLogP1.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.93
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

1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525717
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
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-ethylbenzohydrazide
CID 26614008
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 26594562
1-(3-chloro-4-fluorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786354
3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 7780052
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 4792264
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
2-chloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-methylsulfanylbenzohydrazide
CID 26614007
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(4-fluorophenyl)sulfonylpropanehydrazide
CID 9416563

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide (CID 34390205) is 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)CCc2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide?
The InChIKey is BZVLQMWIIKKECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-9-12(2)21(20-11)10-16(23)19-18-15(22)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide?
3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide has a molecular weight of 334.81 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide is sourced from PubChem (CID 34390205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).