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

C15H18N4O3S — CID 4792264

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCC(=O)c2cccs2)n1
InChIInChI=1S/C15H18N4O3S/c1-10-8-11(2)19(18-10)9-15(22)17-16-14(21)6-5-12(20)13-4-3-7-23-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyHMAJYPFFUZAFSB-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.37
Rot. Bonds6

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

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide (PubChem CID 4792264) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
PubChem CID4792264
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCC(=O)c2cccs2)n1
InChIInChI=1S/C15H18N4O3S/c1-10-8-11(2)19(18-10)9-15(22)17-16-14(21)6-5-12(20)13-4-3-7-23-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyHMAJYPFFUZAFSB-UHFFFAOYSA-N
XLogP1.37
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.37
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

3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 34390205
3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 38766462
3-cyclohexyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 7780052
5-ethyl-4-methyl-N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide
CID 4793750
N-[2-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 18280546
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92603142
(E)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylprop-2-enehydrazide
CID 40724083
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-fluoro-1-benzothiophene-2-carbohydrazide
CID 51193400
N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108740560
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide (CID 4792264) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)c2cccs2)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
The InChIKey is HMAJYPFFUZAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10-8-11(2)19(18-10)9-15(22)17-16-14(21)6-5-12(20)13-4-3-7-23-13/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide has a molecular weight of 334.40 g/mol, XLogP of 1.37, 6 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-oxo-4-thiophen-2-ylbutanehydrazide is sourced from PubChem (CID 4792264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).