N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide

C13H14N4O2 — CID 30905613

IUPACN'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H14N4O2/c1-10(18)15-16-13(19)7-11-8-14-17(9-11)12-5-3-2-4-6-12/h2-6,8-9H,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyMWVHICSRHSRSNN-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.58
Rot. Bonds3

About N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide

N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide (PubChem CID 30905613) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
PubChem CID30905613
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
SMILESCC(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H14N4O2/c1-10(18)15-16-13(19)7-11-8-14-17(9-11)12-5-3-2-4-6-12/h2-6,8-9H,7H2,1H3,(H,15,18)(H,16,19)
InChIKeyMWVHICSRHSRSNN-UHFFFAOYSA-N
XLogP0.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.58
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

N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 51982797
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide (CID 30905613) is N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide is CC(=O)NNC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide?
The InChIKey is MWVHICSRHSRSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-10(18)15-16-13(19)7-11-8-14-17(9-11)12-5-3-2-4-6-12/h2-6,8-9H,7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide?
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide has a molecular weight of 258.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide is sourced from PubChem (CID 30905613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).